SCHEMBL4387012

SCHEMBL4387012

CCc1c(O)cc(O)c(-c2cccc(O)c2)c1CCOCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GCGR P47871 1/20 0.36
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
CNR2 P34972 2/20 0.31
HSD17B1 P14061 2/20 0.30
HSD17B2 P37059 2/20 0.30
HIF1A Q16665 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
GALR3 O60755 1/20 0.30
CYP17A1 P05093 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
SCHEMBL4392407 0.90 CYP1A2 (0.36) ESR1ESR2GCGRUSP2TSHR
SCHEMBL4382721 0.89 USP7 (0.36) ESR1ESR2USP2TSHRMAPK1
SCHEMBL4388631 0.88 TSHR (0.46) GCGRTSHRMAPK1LMNACYP1A2
SCHEMBL4388418 0.87 TSHR (0.40) GCGRUSP2TSHRMAPK1LMNA
SCHEMBL4384123 0.86 ESR1 (0.41) ESR1ESR2GCGRCYP1A2HSD17B1
SCHEMBL15225521 0.85 AGTR1 (0.33) ESR1ESR2LMNACYP1A2AGTR1
SCHEMBL4379845 0.84 HSD17B1 (0.38) TSHRCYP1A2HSD17B1HSD17B2CYP17A1
SCHEMBL4383818 0.83 HSD17B1 (0.39) CYP1A2HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL4382891 0.83 USP2 (0.40) ESR1ESR2GCGRUSP2LMNA
SCHEMBL4386225 0.83 GPR132 (0.36) TSHRMAPK1LMNA

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 ESR1 610/4885ESR2 1033/4885GCGR 263/4885

“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.