SCHEMBL975459

SCHEMBL975459

COC(=O)c1ccc(C2(c3ccc(OC(C)(C)c4ccccn4)cc3)CC3CCC2C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.46
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12920603 1.00 ALOX5AP (0.46) ALOX5APKDM4EPOLBMAPT
SCHEMBL12920602 1.00 ALOX5AP (0.46) ALOX5APKDM4EPOLBMAPT
SCHEMBL977277 0.85 ALOX5AP (0.45) ALOX5AP
SCHEMBL12948050 0.84 ALOX5AP (0.43) ALOX5APKDM4E
SCHEMBL12948051 0.84 ALOX5AP (0.43) ALOX5APKDM4E
SCHEMBL12948052 0.84 ALOX5AP (0.43) ALOX5APKDM4E
SCHEMBL12920585 0.81 ALOX5AP (0.59) ALOX5AP
SCHEMBL12920598 0.81 ALOX5AP (0.59) ALOX5AP
SCHEMBL976729 0.81 ALOX5AP (0.59) ALOX5AP
SCHEMBL13882593 0.81 TGFBR1 (0.46) ALOX5APKDM4EPOLBMAPT

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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885KDM4E 3639/4885POLB 657/4885

“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.