SCHEMBL1813544

SCHEMBL1813544

CCOC(=O)C1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1813546 0.85 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL8039672 0.84 ALDH1A1 (0.33) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL8050332 0.83 CYP2C19 (0.32) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL8050880 0.82 DGKA (0.38) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL8049998 0.82 NAAA (0.36) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL8051064 0.81 ALDH1A1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7938010 0.81 MAOB (0.30) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11391378 0.80 ALDH1A1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL7936712 0.79 MAPT (0.37) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL16699574 0.79 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 83 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981560-B1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD LLC 2 (US) 2021-10-13 EP claimed
US-10544299-B2 Vinyl-containing compounds with high heat distortion REICHHOLD LLC 2 (US) 2020-01-28 US claimed
EP-2981560-A1 CURING OF LIQUID THERMOSETTING RESINS Reichhold, Inc. (US) 2016-02-10 EP claimed
US-9068045-B2 Curing of liquid thermosetting resins REICHHOLD, INC. (US) 2015-06-30 US claimed
WO-2014165425-A1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD, INC. (US) 2014-10-09 WO claimed
US-20140303315-A1 CURING OF LIQUID THERMOSETTING RESINS Polynt Composites USA Inc. 2014-10-09 US claimed
US-20140171568-A1 VINYL-CONTAINING COMPOUNDS WITH HIGH HEAT DISTORTION Polynt Composites USA Inc. 2014-06-19 US claimed
US-7473795-B2 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2009-01-06 US claimed
EP-1438277-B1 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEM CO INC (US) 2007-03-07 EP claimed
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC A CORPORATION OF THE STATE OF DELAWARE 2006-07-13 US claimed
US-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 US claimed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 US claimed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US claimed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US claimed
EP-1332196-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS Uniroyal Chemical Company, Inc. (US) 2003-08-06 EP claimed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US claimed
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP claimed
WO-2002033026-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-04-25 WO claimed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 WO claimed
US-20230257500-A1 RADICALLY POLYMERIZABLE COMPOSITIONS BNY MELLON CORPORATE TRUSTEE SERVICES LIMITED, AS SECURITY AGENT (GB) 2023-08-17 US disclosed
US-11518834-B2 Radically polymerizable compositions Polynt Composites USA, Inc. (US) 2022-12-06 US disclosed
EP-3906265-A1 RADICALLY POLYMERIZABLE COMPOSITIONS Polynt Composites USA Inc. (US) 2021-11-10 EP disclosed
EP-2981560-B1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD LLC 2 (US) 2021-10-13 EP disclosed
CN-113474383-A Radically polymerizable composition 波林复合材料美国股份有限公司 2021-10-01 CN disclosed
WO-2020142632-A1 RADICALLY POLYMERIZABLE COMPOSITIONS Polynt Composites USA, Inc. (US) 2020-07-09 WO disclosed
US-20200207895-A1 RADICALLY POLYMERIZABLE COMPOSITIONS BNY MELLON CORPORATE TRUSTEE SERVICES LIMITED, AS SECURITY AGENT (GB) 2020-07-02 US disclosed
US-10544299-B2 Vinyl-containing compounds with high heat distortion REICHHOLD LLC 2 (US) 2020-01-28 US disclosed
EP-3002312-B1 CURABLE COMPOSITIONS REICHHOLD LLC 2 (US) 2018-08-29 EP disclosed
US-20180223039-A1 CURABLE COMPOSITIONS REICHHOLD LLC 2 2018-08-09 US disclosed
US-10000602-B2 Curable compositions REICHHOLD LLC 2 (US) 2018-06-19 US disclosed
US-20160096918-A1 CURABLE COMPOSITIONS Polynt Composites USA Inc. 2016-04-07 US disclosed
EP-3002312-A1 CURABLE COMPOSITIONS Reichhold LLC 2 (US) 2016-04-06 EP disclosed
EP-2981560-A1 CURING OF LIQUID THERMOSETTING RESINS Reichhold, Inc. (US) 2016-02-10 EP disclosed
US-9068045-B2 Curing of liquid thermosetting resins REICHHOLD, INC. (US) 2015-06-30 US disclosed
WO-2014165425-A1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD, INC. (US) 2014-10-09 WO disclosed
US-20140303315-A1 CURING OF LIQUID THERMOSETTING RESINS Polynt Composites USA Inc. 2014-10-09 US disclosed
WO-2014099376-A1 VINYL CONTAINING COMPOUNDS WITH HIGH HEAT DISTORTION REICHHOLD, INC. (US) 2014-06-26 WO disclosed
US-20140171568-A1 VINYL-CONTAINING COMPOUNDS WITH HIGH HEAT DISTORTION Polynt Composites USA Inc. 2014-06-19 US disclosed
US-7943809-B2 Composition and method for inhibiting polymerization and polymer growth CHEMTURA CORPORATION (US) 2011-05-17 US disclosed
US-20100168434-A1 INHIBITION OF POLYMERISATION A H MARKS AND COMPANY LIMITED (GB) 2010-07-01 US disclosed
US-7728083-B1 Aromatic sulfonic acids, amines and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosoanilines as polymerization inhibitors CHEMTURA CORPORATION (US) 2010-06-01 US disclosed
US-20100127218-A1 AROMATIC SULFONIC ACIDS, AMINES AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2010-05-27 US disclosed
US-20100093897-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH CHEMTURA CORPORATION (US) 2010-04-15 US disclosed
US-7696290-B2 Aromatic sulfonic acids, amines, and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosanilines as polymerization inhibitors CROMPTON CORPORATION (US) 2010-04-13 US disclosed
EP-1794106-B1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2010-04-07 EP disclosed
US-7691952-B2 adding a sulonated nitrophenol compound selected from 4-hydroxy-5-sec-butyl-3-nitrobenzenesulfonic acid, 2-hydroxy-3-sec-butyl-5-nitrobenzenesulfonic acid to a styrene monomer; 4-nitroso-N-(2,4-dimethylpentyl)-aniline, N-methyl-pyrrolidinone, 2,4-dinitro-o-sec -butylphenol CHEMTURA CORPORATION (US) 2010-04-06 US disclosed
EP-1794107-B8 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2009-02-25 EP disclosed
US-7473795-B2 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2009-01-06 US disclosed
EP-1794107-B1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA USA CORP (US) 2008-11-26 EP disclosed
EP-1937726-A1 INHIBITION OF POLYMERISATION A H Marks & Company Limited (GB) 2008-07-02 EP disclosed
EP-1248757-B1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS CHEMTURA CORP (US) 2007-11-14 EP disclosed
EP-1817271-A1 AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS Chemtura Corporation (US) 2007-08-15 EP disclosed
EP-1235885-B1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEM CO INC (US) 2007-08-15 EP disclosed
EP-1794107-A1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS Chemtura USA Corporation (US) 2007-06-13 EP disclosed
EP-1794106-A1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS Chemtura Corporation (US) 2007-06-13 EP disclosed
WO-2007045886-A1 INHIBITION OF POLYMERISATION A H MARKS AND COMPANY LIMITED (GB) 2007-04-26 WO disclosed
EP-1438277-B1 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEM CO INC (US) 2007-03-07 EP disclosed
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC A CORPORATION OF THE STATE OF DELAWARE 2006-07-13 US disclosed
WO-2006062563-A1 AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-06-15 WO disclosed
US-20060122341-A1 Aromatic sulfonic acids, amines, and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosanilines as polymerization inhibitors ADDIVANT USA, LLC 2006-06-08 US disclosed
US-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 US disclosed
WO-2006036426-A1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-04-06 WO disclosed
WO-2006036274-A1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-04-06 WO disclosed
US-20060069219-A1 Sulfonated phenols with nitrophenols as polymerization inhibitors CHEMTURA CORPORATION 2006-03-30 US disclosed
US-20060069218-A1 Sulfonated nitrophenols as polymerization inhibitors ADDIVANT USA, LLC 2006-03-30 US disclosed
EP-1233989-B1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS CROMPTON CORP (US) 2005-11-02 EP disclosed
EP-1233937-B1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS CROMPTON CORP (US) 2005-10-26 EP disclosed
EP-1278712-B1 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEM CO INC (US) 2005-09-21 EP disclosed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 US disclosed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US disclosed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US disclosed
US-6660181-B2 Inhibiting the premature polymerization of ethylenically unsaturated monomers by adding mixture comprising a first inhibitor comprising 4-amino-2,2,6,6-tetramethylpiperidinyloxy and other inhibitor CROMPTON CORPORATION 2003-12-09 US disclosed
US-6653414-B2 Adding to said monomer an effective amount of a mixture comprising at least one stable hindered nitroxyl compound and one quinone or hydroquinone inbibitor UNIROYAL CHEMICAL COMPANY, INC. 2003-11-25 US disclosed
US-20030080318-A1 Inhibition of polymerization of unsaturated monomers ADDIVANT USA, LLC 2003-05-01 US disclosed
EP-1278712-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS Uniroyal Chemical Company, Inc. (US) 2003-01-29 EP disclosed
EP-1248757-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS Uniroyal Chemical Company, Inc. (US) 2002-10-16 EP disclosed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US disclosed
US-6403850-B1 MIXTURE OF STABLE, HINDERED NITROXYL RADICAL (SUCH AS 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINYLOXY), PHENYLENEDIAMINE, AND NITROAROMATIC COMPOUNDS; SYNERGISTIC EFFECT; AEROBIC AND ANAEROBIC CONDITIONS UNIROYAL CHEMICAL COMPANY, INC. 2002-06-11 US disclosed
US-20020037958-A1 Inhibition of polymerization of unsaturated monomers ADDIVANT USA, LLC 2002-03-28 US disclosed
EP-1186588-A1 6-HYDROXY-2-NAPHTHYLCARBINOL AND PROCESS FOR THE PREPARATION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-13 EP disclosed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US disclosed
WO-2001083567-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-08 WO disclosed
WO-2001053235-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-07-26 WO disclosed
WO-2001053235-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-07-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 CYP3A4 2793/4885CYP2D6 2230/4885CYP2C9 2778/4885
US-20100168434-A1 INHIBITION OF POLYMERISATION NOS2, NOS1, NOS3 CYP3A4 53/4885CYP2D6 100/4885CYP2C9 77/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 CYP3A4 2793/4885CYP2D6 2230/4885CYP2C9 2778/4885
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 CYP3A4 426/4885CYP2D6 461/4885CYP2C9 829/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 CYP3A4 232/4885CYP2D6 1490/4885CYP2C9 396/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 CYP3A4 458/4885CYP2D6 576/4885CYP2C9 981/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.