SCHEMBL85988

SCHEMBL85988

CCOC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
CES2 O00748 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
CES1 P23141 1/20 0.37
MPI P34949 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL16104561 0.83 ATM (0.38) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL16104563 0.80 ATM (0.37) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL85970 0.79 ATM (0.49) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL16104560 0.74 ATM (0.42) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL4468463 0.73 ATM (0.41) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL4463546 0.73 ALDH1A1 (0.41) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL4457743 0.73 KMT2A (0.38) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL4456520 0.71 ATM (0.40) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL8676354 0.71 ATM (0.45) ATMKMT2ANPC1GPR35ALDH1A1
SCHEMBL29165174 0.71 KMT2A (0.46) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243764-B1 Method for producing substituted 1.4 chinonmethides EVONIK DEGUSSA GMBH (DE) 2017-06-07 EP disclosed
US-9670116-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9670116-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2017-06-06 US disclosed
US-9493382-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2016-11-15 US disclosed
US-9493382-B2 Process and composition for inhibiting the polymerization of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2016-11-15 US disclosed
EP-2781496-B1 Method and composition for inhibiting the polymerisation of cyclopentadiene compounds EVONIK DEGUSSA GMBH (DE) 2016-09-21 EP disclosed
US-20160237008-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20160237008-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 US disclosed
US-20120101295-A1 PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS EVONIK DEGUSSA GMBH (DE) 2012-04-26 US disclosed
US-8128804-B2 Process for stabilizing olefinically unsaturated monomers EVONIK DEGUSSA GMBH (DE) 2012-03-06 US disclosed
US-8128804-B2 Process for stabilizing olefinically unsaturated monomers EVONIK DEGUSSA GMBH (DE) 2012-03-06 US disclosed
EP-2243764-A1 Method for producing substituted 1,4 chinonmethides Evonik Degussa GmbH (DE) 2010-10-27 EP disclosed
US-20100267992-A1 PROCESS FOR PREPARING SUBSTITUTED 1,4-QUINONE METHIDES EVONIK DEGUSSA GMBH (DE) 2010-10-21 US disclosed
US-20090114878-A1 PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS EVONIK DEGUSSA GMBH (DE) 2009-05-07 US disclosed
US-20090114878-A1 PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS EVONIK DEGUSSA GMBH (DE) 2009-05-07 US disclosed
EP-0626377-B1 Method for producing benzylidene derivatives SHIONOGI & CO (JP) 1999-07-28 EP disclosed
US-5463052-A Nonsteroidal antiinflammatory agents SHIONOGI & CO., LTD. (JP) 1995-10-31 US disclosed
EP-0626377-A1 Method for producing benzylidene derivatives SHIONOGI & CO., LTD. (JP) 1994-11-30 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 (4 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-20120101295-A1 PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS SQOR, ALOX12, ALOX15B ATM 4714/4885KMT2A 2863/4885NPC1 3870/4885
US-20100267992-A1 PROCESS FOR PREPARING SUBSTITUTED 1,4-QUINONE METHIDES NQO1, SQOR, SDHA ATM 3339/4885KMT2A 382/4885NPC1 4830/4885
US-20160237008-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB ATM 2053/4885KMT2A 4303/4885NPC1 4103/4885
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB ATM 2053/4885KMT2A 4303/4885NPC1 4103/4885

“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.