SCHEMBL758464

SCHEMBL758464

CCOC(=O)c1oc2ccc(Cl)cc2c1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
MAOB P27338 1/20 0.62
MCL1 Q07820 1/20 0.54
ALOX5 P09917 2/20 0.53
HIF1A Q16665 2/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 1/20 0.52
AHR P35869 1/20 0.50
MAPK1 P28482 1/20 0.49
NQO1 P15559 1/20 0.49
PLK1 P53350 1/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9378819 0.87 KDM4E (0.69) KDM4EMAOBMCL1HIF1AALDH1A1
SCHEMBL10899711 0.86 KDM4E (0.67) KDM4EMAOBMCL1ALOX5HIF1A
SCHEMBL1854495 0.85 KDM4E (0.73) KDM4EMAOBMCL1ALOX5HIF1A
SCHEMBL5736871 0.84 KDM4E (0.72) KDM4EMAOBMCL1ALDH1A1HPGD
SCHEMBL11698424 0.83 KDM4E (0.47) KDM4EMAOBALOX5HIF1AALDH1A1
SCHEMBL9379132 0.83 PLK1 (0.68) KDM4EMAOBMCL1ALOX5HIF1A
Hydrochloric Acid SCHEMBL11124768 0.82 KDM4E (0.50) KDM4EMAOBMCL1ALOX5HIF1A
SCHEMBL10443761 0.81 KDM4E (0.48) KDM4EMAOBHIF1AALDH1A1HPGD
SCHEMBL2498341 0.81 KDM4E (0.82) KDM4EMAOBHIF1AALDH1A1HPGD
SCHEMBL27291091 0.81 KDM4E (0.61) KDM4EMAOBMCL1ALOX5HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
US-4036982-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP KDM4E 2907/4885MAOB 1581/4885MCL1 761/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 KDM4E 1843/4885MAOB 1367/4885MCL1 754/4885

“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.