SCHEMBL4384087

SCHEMBL4384087

CCc1c(O)cc(O)c(-c2cccc(OCc3csc(C)n3)c2)c1CCOCC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
PFKFB3 Q16875 1/20 0.35
OPRK1 P41145 1/20 0.34
APLNR P35414 4/20 0.34
PIK3CG P48736 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
PPARA Q07869 2/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4382193 0.85 GPR132 (0.37) PIK3CGTSHRMAPK1MAPTCNR2
SCHEMBL4388418 0.83 TSHR (0.40) PIK3CGTSHRMAPK1KDM4EALDH1A1
SCHEMBL4386225 0.82 GPR132 (0.36) PIK3CGTSHRMAPK1KDM4EMEN1
SCHEMBL4388631 0.80 TSHR (0.46) TSHRMAPK1KDM4ECNR2GCGR
SCHEMBL4385972 0.80 GPR132 (0.43)
SCHEMBL4387012 0.79 ESR1 (0.39) TSHRMAPK1CNR2GCGR
SCHEMBL4392407 0.76 CYP1A2 (0.36) TSHRMAPK1KDM4ECNR2GCGR
SCHEMBL4382721 0.76 USP7 (0.36) PIK3CGTSHRMAPK1CNR2
SCHEMBL4394865 0.74 ALDH1A1 (0.41) NPC1RAB9ATSHRMAPK1KDM4E
SCHEMBL4384950 0.73 POLB (0.46) NPC1RAB9AMEN1KMT2AFFAR1

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 CHEK1 2576/4885PFKFB3 4731/4885OPRK1 4066/4885

“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.