SCHEMBL4386712

SCHEMBL4386712

COCCc1c(C(=O)C(C)C)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
CNR2 P34972 1/20 0.38
HSP90AA1 P07900 4/20 0.37
TP53 P04637 1/20 0.37
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
HSP90B1 P14625 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 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
SCHEMBL4382744 0.87 CNR2 (0.41) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL4392291 0.86 HK2 (0.42) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL2864985 0.85 CNR2 (0.43) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4386082 0.85 HSP90B1 (0.49) HSP90AA1HSP90B1
SCHEMBL4381427 0.84 CNR2 (0.41) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL4394893 0.81 CNR2 (0.38) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL4389876 0.80 PDE4B (0.39) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL4386331 0.79 HK2 (0.37) CNR2HSP90AA1HSP90B1
SCHEMBL4392537 0.79 HK2 (0.39) CNR2HSP90AA1TP53PDE4BPDE4A
SCHEMBL4395195 0.79 EGFR (0.40) TP53POLB

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 FFAR1 1445/4885CNR2 1898/4885HSP90AA1 5/4885

“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.