SCHEMBL4057182

SCHEMBL4057182

CC1(C)CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)O)C1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.84
GPBAR1 Q8TDU6 3/20 0.56
CYSLTR1 Q9Y271 1/20 0.56

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
SCHEMBL4050080 0.92 ALOX5AP (1.00) ALOX5AP
SCHEMBL4060007 0.91 ALOX5AP (0.82) ALOX5APGPBAR1CYSLTR1
SCHEMBL4234814 0.89 ALOX5AP (0.75) ALOX5APGPBAR1CYSLTR1
SCHEMBL4315839 0.88 ALOX5AP (0.85) ALOX5APGPBAR1CYSLTR1
SCHEMBL4328667 0.87 ALOX5AP (0.79) ALOX5AP
SCHEMBL4317916 0.86 ALOX5AP (0.73) ALOX5AP
SCHEMBL13750360 0.81 ALOX5AP (0.65) ALOX5APGPBAR1CYSLTR1
SCHEMBL4321976 0.80 ALOX5AP (0.68) ALOX5AP
SCHEMBL4321615 0.80 ALOX5AP (0.64) ALOX5APCYSLTR1
SCHEMBL4315092 0.80 ALOX5AP (1.00) ALOX5AP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
EP-1858513-A4 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-06-03 EP disclosed
EP-1858513-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006098912-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-09-21 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B ALOX5AP 16/4885GPBAR1 311/4885CYSLTR1 12/4885

“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.