SCHEMBL4382880

SCHEMBL4382880

CCc1c(O)cc(O)c(-c2cccc(O)c2)c1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
GCGR P47871 1/20 0.41
HSD17B1 P14061 9/20 0.38
HSD17B2 P37059 9/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 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
SCHEMBL4384123 0.87 ESR1 (0.41) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4387388 0.86 ESR1 (0.44) ESR1ESR2GCGRCYP3A4CYP2C9
SCHEMBL4379468 0.85 ESR1 (0.44) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4384445 0.83 HDAC4 (0.43) GCGR
SCHEMBL4388525 0.80 ESR1 (0.41) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4387012 0.80 ESR1 (0.39) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4386943 0.78 ESR1 (0.42) ESR1ESR2GCGR
SCHEMBL4379884 0.77 ESR1 (0.43) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4392394 0.77 ESR1 (0.43) ESR1ESR2GCGRHSD17B1HSD17B2
SCHEMBL4381135 0.76 ESR1 (0.40) ESR1ESR2GCGRHSD17B1HSD17B2

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.