SCHEMBL4468492

SCHEMBL4468492

CC(C)(C)C1=CC(=CP(=O)(O)O)C=C(C(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
CES2 O00748 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CES1 P23141 1/20 0.38
MPI P34949 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL22930710 0.75 ATM (0.44) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL15235937 0.74 ATM (0.46) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL8163207 0.74 ATM (0.38) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL14307454 0.71 ATM (0.44) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL8410304 0.71 ATM (0.44) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL4456724 0.71 ATM (0.41) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL86001 0.71 ATM (0.41) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL8144898 0.69 ATM (0.43) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL23034270 0.68 ATM (0.41) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL85970 0.68 ATM (0.49) ATMKMT2ANPC1GPR35ALDH1A1

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 31 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
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
EP-1379584-B1 FLAME RETARDANT COMPOSITIONS CIBA SC HOLDING AG (CH) 2005-08-24 EP claimed
US-20040097619-A1 Flame retardant compositions CIBA SPECIALTY CHEMICALS CORP. 2004-05-20 US claimed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US claimed
EP-1379584-A1 FLAME RETARDANT COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2004-01-14 EP claimed
EP-1332196-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS Uniroyal Chemical Company, Inc. (US) 2003-08-06 EP claimed
WO-2002074847-A1 FLAME RETARDANT COMPOSITIONS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2002-09-26 WO claimed
WO-2002033026-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-04-25 WO claimed
EP-0737659-B1 7-Substituted quinone methides as inhibitors for unsaturated monomers CIBA SC HOLDING AG (CH) 2000-07-05 EP claimed
US-5750765-A 7-substituted quinone methides as inhibitors for unsaturated monomers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US claimed
US-5670692-A 7-substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY CORPORATION (US) 1997-09-23 US claimed
US-5583247-A PREMATURE POLYMERIZATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
EP-0737659-A1 7-Substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY AG (CH) 1996-10-16 EP claimed
US-7470734-B2 Flame retardant compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-30 US disclosed
US-7084196-B2 Flame retardant compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-01 US 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
US-5670692-A 7-substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
US-5583247-A PREMATURE POLYMERIZATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
EP-0737659-A1 7-Substituted quinone methides as inhibitors for unsaturated monomers CIBA-GEIGY AG (CH) 1996-10-16 EP 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 (2 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-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 ATM 2227/4885KMT2A 2450/4885NPC1 3524/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 ATM 2160/4885KMT2A 2522/4885NPC1 3451/4885

“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.