SCHEMBL4457743

SCHEMBL4457743

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
GPR35 Q9HC97 1/20 0.38
HPGD P15428 4/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL6065230 0.83 ATM (0.36) KMT2AATMNPC1GPR35HPGD
SCHEMBL85767 0.81 ATM (0.44) KMT2AATMNPC1GPR35HPGD
SCHEMBL8675243 0.76 ATM (0.39) KMT2AATMNPC1GPR35HPGD
SCHEMBL86001 0.75 ATM (0.41) KMT2AATMNPC1GPR35HPGD
SCHEMBL85988 0.73 ATM (0.42) KMT2AATMNPC1GPR35HPGD
SCHEMBL4463546 0.71 ALDH1A1 (0.41) KMT2AATMNPC1GPR35HPGD
SCHEMBL22930710 0.69 ATM (0.44) KMT2AATMNPC1GPR35HPGD
SCHEMBL6249541 0.68 ATM (0.38) KMT2AATMNPC1GPR35HPGD
SCHEMBL28708577 0.68 ATM (0.38) KMT2AATMNPC1GPR35HPGD
SCHEMBL15827671 0.68 ATM (0.41) KMT2AATMNPC1GPR35HPGD

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 6 patents. 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 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-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 US disclosed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US disclosed
EP-1332196-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS Uniroyal Chemical Company, Inc. (US) 2003-08-06 EP disclosed
WO-2002033026-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-04-25 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 (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 KMT2A 2450/4885ATM 2227/4885NPC1 3524/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 KMT2A 2522/4885ATM 2160/4885NPC1 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.