SCHEMBL4381860

SCHEMBL4381860

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CC(=O)N(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL4379976 0.85 MLNR (0.39) NPC1RAB9A
SCHEMBL4386776 0.84 EGFR (0.43) EGFRPOLB
SCHEMBL4379880 0.82 EGFR (0.42) EGFRNPC1RAB9A
SCHEMBL4381984 0.81 EGFR (0.41) EGFRNPC1RAB9A
SCHEMBL4386982 0.78 EGFR (0.40) EGFRPOLB
SCHEMBL4387626 0.78 PTGIR (0.33) EGFRTRPV1
SCHEMBL4387139 0.78 EGFR (0.42) EGFR
SCHEMBL4385894 0.77 EGFR (0.41) EGFRPOLB
SCHEMBL4395202 0.76 L3MBTL1 (0.42) POLBTRPV1
SCHEMBL4384148 0.76 EGFR (0.40) EGFR

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 EGFR 624/4885POLB 3913/4885TRPV1 2108/4885

“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.