SCHEMBL4386663

SCHEMBL4386663

COC(=O)C(Cc1ccccc1)c1cc(O)cc(O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ATM Q13315 1/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4380947 0.87 CNR2 (0.42) ALDH1A1HSD17B10MEN1KMT2AGAA
SCHEMBL4379804 0.79 PDE4B (0.41) ESR1ESR2CYP2C19MEN1KMT2A
SCHEMBL4394066 0.78 PDE4B (0.40) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL4388415 0.78 LMNA (0.44) ATMALDH1A1THRBMEN1KMT2A
SCHEMBL4380721 0.75 AKR1C3 (0.44) ALDH1A1HSD17B10TSHR
SCHEMBL4393860 0.75 CAPN1 (0.46) PPARGPPARAATMALDH1A1THRB
SCHEMBL468137 0.73 CYP2C19 (0.52) ESR1ESR2PPARGPPARAATM
SCHEMBL20060131 0.73 ESR1 (0.49) ESR1ESR2ATMALDH1A1THRB
SCHEMBL29794302 0.73 CYP2C19 (0.52) ESR1ESR2PPARGPPARAATM
SCHEMBL15145348 0.72 ATM (0.60) ATMMDM4MDM2ALDH1A1THRB

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 1033/4885PPARG 1775/4885

“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.