SCHEMBL4390510

SCHEMBL4390510

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
ERN1 O75460 1/20 0.36
AR P10275 2/20 0.36
PTGER1 P34995 3/20 0.35
C5AR1 P21730 1/20 0.34
FFAR1 O14842 3/20 0.33
MAPK14 Q16539 1/20 0.33
MCL1 Q07820 1/20 0.33
PLAU P00749 1/20 0.33
EGFR P00533 1/20 0.33
RHEB Q15382 1/20 0.32
MRGPRX4 Q96LA9 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
SCHEMBL4380287 0.90 AR (0.38) ERN1ARFFAR1MCL1MRGPRX4
SCHEMBL4381851 0.84 ABCB1 (0.45) ERN1
SCHEMBL4384978 0.81 KDM4C (0.35)
SCHEMBL4388315 0.79 HMGCR (0.38) HMGCRC5AR1MAPK14
SCHEMBL4386832 0.77 PTGS2 (0.33) EGFR
SCHEMBL4382835 0.77 CYP4F2 (0.43) HMGCRC5AR1MAPK14
SCHEMBL4382673 0.76 ERN1 (0.33) HMGCRERN1ARPTGER1MAPK14
SCHEMBL4388737 0.76 ERN1 (0.33) HMGCRERN1ARPTGER1MAPK14
SCHEMBL4387419 0.74 EGFR (0.38) EGFR
SCHEMBL4389711 0.73 CYP4F2 (0.41) PTGER1FFAR1MRGPRX4

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 HMGCR 2948/4885ERN1 1073/4885AR 221/4885

“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.