SCHEMBL4386683

SCHEMBL4386683

COCCOCCc1c(C(C)=O)c(O)cc(O)c1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
ACLY P53396 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGES O14684 1/20 0.35
LIPE Q05469 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4390008 0.93 CNR2 (0.43) CNR2CNR1L3MBTL1ALDH1A1HPGD
SCHEMBL4382251 0.90 KDR (0.33) HPGD
SCHEMBL4392537 0.89 HK2 (0.39) CNR2ALDH1A1
SCHEMBL4381325 0.88 HDAC4 (0.40) ALDH1A1HPGDACLY
SCHEMBL4382873 0.83 CNR2 (0.37) CNR2CNR1L3MBTL1ALDH1A1HPGD
SCHEMBL4386256 0.82 CYP3A4 (0.35) HPGD
SCHEMBL4379882 0.82 ALDH1A1 (0.36) CNR2CNR1ALDH1A1HPGDATM
SCHEMBL4386331 0.81 HK2 (0.37) CNR2CNR1
SCHEMBL4392291 0.81 HK2 (0.42) CNR2ALOX5PTGES
SCHEMBL4384645 0.81 HDAC4 (0.43) ALDH1A1HPGDACLY

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 CNR2 1898/4885CNR1 614/4885L3MBTL1 3218/4885

“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.