SCHEMBL4381785

SCHEMBL4381785

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
CNR2 P34972 2/20 0.35
PTPN1 P18031 1/20 0.35
EGFR P00533 2/20 0.34
SYK P43405 1/20 0.34
ALOX5 P09917 1/20 0.33
LIPE Q05469 1/20 0.33
MCL1 Q07820 1/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 1/20 0.33
CTSA P10619 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4379882 0.95 ALDH1A1 (0.36) ALDH1A1HPGDATMCNR2PTPN1
SCHEMBL4379802 0.89 KDR (0.36) PTPN1EGFR
SCHEMBL4381699 0.89 EGFR (0.44) ALDH1A1PTPN1EGFRCNR1
SCHEMBL4384151 0.89 EGFR (0.42) ALDH1A1PTPN1EGFR
SCHEMBL4383654 0.88 NPC1 (0.38) ALDH1A1HPGDSYKFFAR1FFAR4
SCHEMBL4386988 0.86 MAPT (0.41) ALDH1A1
SCHEMBL4392560 0.86 CREBBP (0.39) EGFR
SCHEMBL4386518 0.84 KDR (0.35) ALDH1A1EGFR
SCHEMBL4386937 0.83 EGFR (0.40) ALDH1A1EGFR
SCHEMBL4382568 0.83 MAOB (0.46) ALDH1A1FFAR1FFAR4

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 ALDH1A1 3520/4885HPGD 3238/4885ATM 3555/4885

“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.