SCHEMBL4387490

SCHEMBL4387490

COC(=N)c1cccc(-c2c(O)cc(O)cc2CC(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 2/20 0.40
EGFR P00533 3/20 0.39
HSP90AB1 P08238 1/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ICMT O60725 1/20 0.35
ERN1 O75460 1/20 0.35
GAA P10253 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GFER P55789 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
SCHEMBL4384676 0.88 CFD (0.42) CFDCNR2EGFRHSP90AB1MAPK1
SCHEMBL4389848 0.87 VEGFA (0.47) CFDEGFRHSP90AB1MAPK1ALDH1A1
SCHEMBL4388539 0.82 HSP90AB1 (0.46) CFDCNR2EGFRHSP90AB1ALDH1A1
SCHEMBL4382035 0.81 HDAC4 (0.46) EGFRHSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL4390501 0.81 CNR2 (0.48) CFDCNR2EGFRHSP90AB1ALDH1A1
SCHEMBL4386486 0.80 ACLY (0.47) CNR2EGFRHSP90AB1ALDH1A1KDM4E
SCHEMBL4388872 0.79 CNR2 (0.49) CNR2EGFRHSP90AB1EGLN1
SCHEMBL4383975 0.78 ALDH1A1 (0.48) MAPK1ALDH1A1KDM4EHPGDGAA
SCHEMBL4378621 0.77 HSP90AB1 (0.40) CFDEGFRHSP90AB1ALDH1A1KDM4E
SCHEMBL4389850 0.77 EGFR (0.40) CFDEGFRHSP90AB1ALDH1A1KDM4E

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 CFD 4686/4885CNR2 1898/4885CNR1 614/4885

“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.