SCHEMBL4392291

SCHEMBL4392291

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HK2 P52789 1/20 0.42
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HSP90B1 P14625 1/20 0.37
HSP90AA1 P07900 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
RIN1 Q13671 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL4386331 0.92 HK2 (0.37) HK2CNR2HSP90B1HSP90AA1KDM4E
SCHEMBL4392537 0.92 HK2 (0.39) HK2CNR2TP53PDE4BPDE4A
SCHEMBL4382744 0.90 CNR2 (0.41) HK2CNR2TP53PDE4BPDE4A
SCHEMBL4386256 0.88 CYP3A4 (0.35) KDM4EABL1POLBMAPTRECQL
SCHEMBL2864985 0.88 CNR2 (0.43) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4386082 0.88 HSP90B1 (0.49) HSP90B1HSP90AA1
SCHEMBL4390008 0.87 CNR2 (0.43) CNR2POLBPTGESALOX5
SCHEMBL15225696 0.87 KCNA3 (0.33) HK2KDM4EABL1POLBMAPT
SCHEMBL4381427 0.87 CNR2 (0.41) CNR2TP53PDE4BPDE4APDE4C
SCHEMBL4384645 0.86 HDAC4 (0.43) TP53KDM4EABL1POLBMAPT

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 HK2 4850/4885CNR2 1898/4885TP53 918/4885

“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.