SCHEMBL4381589

SCHEMBL4381589

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
CLCN2 P51788 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL4390358 0.88 EGFR (0.38) EGFRFABP3FABP4FABP5CLCN2
SCHEMBL4384192 0.86 EGFR (0.34) EGFR
SCHEMBL4379642 0.85 EGFR (0.37) EGFRCLCN2KDM4EMAPT
SCHEMBL4379549 0.84 EGFR (0.33) EGFRMEN1KMT2A
SCHEMBL4386680 0.84 EGFR (0.38) EGFRFABP3FABP4FABP5CLCN2
SCHEMBL4381984 0.84 EGFR (0.41) EGFRFABP3FABP4FABP5CLCN2
SCHEMBL4387139 0.83 EGFR (0.42) EGFR
SCHEMBL4385894 0.82 EGFR (0.41) EGFRFABP3FABP4FABP5CLCN2
SCHEMBL4381496 0.81 EGFR (0.35) EGFR
SCHEMBL4382068 0.81 EGFR (0.35) EGFRMEN1KMT2A

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 624/4885FABP3 2603/4885FABP4 3632/4885

“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.