SCHEMBL1812932

SCHEMBL1812932

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL1812933 0.84 MAPK1 (0.38) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL1809548 0.72 LMNA (0.40) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL4191233 0.70 KMT2A (0.41) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL27697361 0.68 KDM4E (0.36) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL8059021 0.66 MAPT (0.40) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL8564392 0.65 SOAT1 (0.41) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL1180317 0.65 CYP1A2 (0.39) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL10743660 0.65 KDM4E (0.43) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL11394309 0.65 CA12 (0.40) MAPK1KDM4EMAPTMEN1ALOX15
SCHEMBL10447298 0.64 TSHR (0.48) KDM4EMAPTMEN1ALOX15KMT2A

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 48 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
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 — — EP 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
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-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-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 MAPK1 2157/4885KDM4E 2690/4885MAPT 3885/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 MAPK1 2157/4885KDM4E 2690/4885MAPT 3885/4885
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 MAPK1 1391/4885KDM4E 1097/4885MAPT 1505/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 MAPK1 1903/4885KDM4E 1609/4885MAPT 692/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 MAPK1 1332/4885KDM4E 1112/4885MAPT 1522/4885

“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.

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