SCHEMBL4380287

SCHEMBL4380287

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(F)c(C)c2)c1CCOCCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
FFAR1 O14842 12/20 0.37
ERN1 O75460 1/20 0.36
MCL1 Q07820 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL4390510 0.90 HMGCR (0.36) ARFFAR1ERN1MCL1MRGPRX4
SCHEMBL4381851 0.84 ABCB1 (0.45) ERN1ABCB1
SCHEMBL4378293 0.81 KDM4C (0.35) ARFFAR1
SCHEMBL4388315 0.79 HMGCR (0.38)
SCHEMBL4382835 0.77 CYP4F2 (0.43) FFAR4
SCHEMBL4383982 0.76 PTGS2 (0.34)
SCHEMBL4381280 0.76 MCL1 (0.34) ARFFAR1ERN1MCL1MRGPRX4
SCHEMBL4387026 0.76 MCL1 (0.34) ARFFAR1ERN1MCL1MRGPRX4
SCHEMBL4389711 0.75 CYP4F2 (0.41) FFAR1FFAR4MRGPRX4
SCHEMBL4387419 0.74 EGFR (0.38)

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 AR 221/4885FFAR1 1445/4885ERN1 1073/4885

“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.