SCHEMBL4379802

SCHEMBL4379802

COCCc1c(C(C)=O)c(OCOC)cc(OCOC)c1-c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.36
BACE1 P56817 1/20 0.35
EGFR P00533 2/20 0.34
MAOB P27338 2/20 0.33
PTPN1 P18031 1/20 0.33
HK2 P52789 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
SCHEMBL4386518 0.95 KDR (0.35) KDRBACE1EGFRMAOB
SCHEMBL4381785 0.89 ALDH1A1 (0.37) EGFRPTPN1
SCHEMBL4381699 0.89 EGFR (0.44) EGFRPTPN1HK2
SCHEMBL4384151 0.89 EGFR (0.42) EGFRPTPN1HK2
SCHEMBL4383654 0.88 NPC1 (0.38) BACE1
SCHEMBL4392560 0.86 CREBBP (0.39) KDREGFR
SCHEMBL4386988 0.86 MAPT (0.41)
SCHEMBL4382568 0.85 MAOB (0.46) MAOB
SCHEMBL4379882 0.84 ALDH1A1 (0.36) KDREGFRPTPN1
SCHEMBL4386937 0.83 EGFR (0.40) EGFRHK2

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 KDR 1787/4885BACE1 3031/4885EGFR 624/4885

“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.