SCHEMBL1812396

SCHEMBL1812396

CC1(C)C=C(N)CC(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1817087 0.76 MAPT (0.30) MAPT
SCHEMBL4439298 0.74
SCHEMBL1812394 0.74
SCHEMBL24842827 0.71
SCHEMBL14008411 0.71
Hydrochloric Acid SCHEMBL4555273 0.69
SCHEMBL1811919 0.69 MAPT (0.36) MAPT
Hydrochloric Acid SCHEMBL4555272 0.68
SCHEMBL14564595 0.67
SCHEMBL14008371 0.67 MEN1 (0.31) GAA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US claimed
CN-102766009-A Sulfonated phenols with nitrophenols as polymerization inhibitors CHEMTURA CORP 2012-11-07 CN disclosed
US-7943809-B2 Composition and method for inhibiting polymerization and polymer growth CHEMTURA CORPORATION (US) 2011-05-17 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
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US disclosed
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP 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
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US disclosed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 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 (5 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 KDM4E 2690/4885ALDH1A1 1824/4885GAA 3406/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 KDM4E 2690/4885ALDH1A1 1824/4885GAA 3406/4885
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 KDM4E 1097/4885ALDH1A1 417/4885GAA 2221/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 KDM4E 1609/4885ALDH1A1 1343/4885GAA 2720/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 KDM4E 1112/4885ALDH1A1 450/4885GAA 2247/4885

“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.