SCHEMBL1814857

SCHEMBL1814857

CC1(C)CC(=NO)C(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.33

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
SCHEMBL5697681 0.76 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL1814854 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1814855 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL14372134 0.75 KDM4E (0.33) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL243699 0.69 MAPT (0.43) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL14372132 0.67 MAPT (0.42) ALDH1A1MAPTL3MBTL1KDM4EGAA
Hydrochloric Acid SCHEMBL4957370 0.67 MAPT (0.46) ALDH1A1MAPTL3MBTL1KDM4EGAA
Hydrochloric Acid SCHEMBL4445454 0.65 MAPT (0.41) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL3767081 0.65 MAPT (0.41) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL8598113 0.64 KDM4E (0.36) ALDH1A1MAPTL3MBTL1KDM4EGAA

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 55 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-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 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
EP-1438277-A2 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE Uniroyal Chemical Company, Inc. (US) 2004-07-21 EP 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
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP claimed
WO-2002010100-A2 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-02-07 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-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
WO-2002010100-A2 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-02-07 WO disclosed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US disclosed
WO-2001053235-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-07-26 WO 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 ALDH1A1 1824/4885MAPT 3885/4885L3MBTL1 1785/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 ALDH1A1 1824/4885MAPT 3885/4885L3MBTL1 1785/4885
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 ALDH1A1 417/4885MAPT 1505/4885L3MBTL1 2553/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 ALDH1A1 1343/4885MAPT 692/4885L3MBTL1 3238/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 ALDH1A1 450/4885MAPT 1522/4885L3MBTL1 2705/4885

“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.