SCHEMBL4386331

SCHEMBL4386331

COCCc1c(C(C)=O)c(O)cc(O)c1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HK2 P52789 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.35
EGFR P00533 1/20 0.35
ABCC1 P33527 2/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
GFER P55789 1/20 0.35
HDAC1 Q13547 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HSP90B1 P14625 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
KMO O15229 1/20 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
SCHEMBL4392291 0.92 HK2 (0.42) HK2CNR2CYP2C19KDM4EHSP90B1
SCHEMBL4386256 0.89 CYP3A4 (0.35) KDM4ETHRB
SCHEMBL4390008 0.88 CNR2 (0.43) CNR2CNR1THRB
SCHEMBL4384645 0.87 HDAC4 (0.43) CYP2C19KDM4E
SCHEMBL4392537 0.85 HK2 (0.39) HK2CNR2KDM4EHSP90B1HSP90AA1
SCHEMBL4381335 0.85 MAOB (0.48) KDM4E
SCHEMBL4387458 0.85 ERN1 (0.44) CNR2
SCHEMBL4382339 0.84 RXRA (0.43) CYP2C19KDM4ETHRB
SCHEMBL4382744 0.83 CNR2 (0.41) HK2CNR2CYP2C19HSP90B1HSP90AA1
SCHEMBL4382251 0.82 KDR (0.33) KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P HK2 4850/4885ACMSD 4292/4885PTGER1 3751/4885

“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.