SCHEMBL4378145

SCHEMBL4378145

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CC(O)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
GCGR P47871 1/20 0.34
USP7 Q93009 2/20 0.32
CAPN1 P07384 2/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL4384944 0.89 EGFR (0.39) EGFRGCGRUSP7CAPN1
SCHEMBL4381132 0.89 EGFR (0.39) EGFRGCGRUSP7
SCHEMBL4384312 0.86 EGFR (0.39) EGFRGCGRUSP7CAPN1
SCHEMBL4392049 0.83 EGFR (0.36) EGFRGCGRUSP7
SCHEMBL4384285 0.83 EGFR (0.35) EGFRGCGRCAPN1
SCHEMBL4381984 0.82 EGFR (0.41) EGFRGCGRUSP7ESR1ESR2
SCHEMBL4382860 0.81 EGFR (0.34) EGFRGCGRCAPN1
SCHEMBL4390311 0.80 HMGCR (0.39) EGFRGCGR
SCHEMBL4386982 0.80 EGFR (0.40) EGFRGCGRUSP7ESR1ESR2
SCHEMBL4385971 0.80 EGFR (0.37) EGFRGCGRUSP7

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 624/4885GCGR 263/4885USP7 413/4885

“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.