SCHEMBL4384944

SCHEMBL4384944

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
LMNA P02545 1/20 0.35
GCGR P47871 1/20 0.34
KCNA5 P22460 4/20 0.33
KCNH2 Q12809 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP7 Q93009 2/20 0.32
CAPN1 P07384 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
VDR P11473 1/20 0.31

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
SCHEMBL4384312 0.94 EGFR (0.39) EGFRCYP1A2AGTR1LMNAGCGR
SCHEMBL4378145 0.89 EGFR (0.40) EGFRGCGRUSP7CAPN1
SCHEMBL4382860 0.86 EGFR (0.34) EGFRGCGRCAPN1
SCHEMBL4390311 0.85 HMGCR (0.39) EGFRCYP1A2AGTR1LMNAGCGR
SCHEMBL4394187 0.85 CYP1A2 (0.39) EGFRCYP1A2AGTR1LMNAGCGR
SCHEMBL4384285 0.84 EGFR (0.35) EGFRGCGRCAPN1
SCHEMBL4395298 0.83 CYP1A2 (0.38) EGFRCYP1A2AGTR1LMNAGCGR
SCHEMBL4381132 0.83 EGFR (0.39) EGFRGCGRUSP7
SCHEMBL4381984 0.83 EGFR (0.41) EGFRGCGRUSP7
SCHEMBL4392049 0.82 EGFR (0.36) 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 624/4885CYP1A2 1290/4885AGTR1 376/4885

“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.