SCHEMBL4386231

SCHEMBL4386231

CCc1c(O)cc(O)c(-c2ccccc2)c1CCOCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CNR2 P34972 1/20 0.37
PDE4B Q07343 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP7 Q93009 2/20 0.32
GCGR P47871 2/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 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
SCHEMBL4387542 0.89 ESR1 (0.41) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4379851 0.87 CNR2 (0.38) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4386674 0.85 ESR1 (0.39) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4380187 0.84 PDE4B (0.37) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4377963 0.83 CNR2 (0.39) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4380734 0.82 ESR1 (0.36) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4377955 0.82 CNR2 (0.38) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4384914 0.82 ESR1 (0.38) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4378125 0.81 CNR2 (0.43) ESR1ESR2CNR2PDE4BPDE4A
SCHEMBL4392407 0.81 CYP1A2 (0.36) ESR1ESR2CNR2PDE4BPDE4A

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 1033/4885CNR2 1898/4885

“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.