SCHEMBL4057347

SCHEMBL4057347

COc1ccc(O)c(C2(c3ccccc3)CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
EHMT2 Q96KQ7 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL4316024 0.85 ALOX5AP (0.49) ALOX5APMEN1KMT2AEHMT2OPRM1
SCHEMBL13750300 0.82 EHMT2 (0.47) ALOX5APMEN1KMT2AEHMT2OPRM1
SCHEMBL27363396 0.79 SLC6A4 (0.43) MEN1KMT2AOPRM1OPRL1ALDH1A1
SCHEMBL4324754 0.79 ESR1 (0.52) ALOX5APMEN1KMT2ASIGMAR1ESR1
SCHEMBL4238197 0.78 OPRM1 (0.45) ALOX5APMEN1KMT2AOPRM1OPRL1
SCHEMBL4232300 0.78 ESR1 (0.53) ALOX5APMEN1KMT2ASIGMAR1ESR1
SCHEMBL1257256 0.77 OPRM1 (0.59) OPRM1OPRL1ALDH1A1ESR1ESR2
SCHEMBL4237705 0.76 ALOX5AP (0.50) ALOX5APOPRM1SIGMAR1ESR1ESR2
SCHEMBL4051553 0.75 ESR1 (0.43) ALOX5APMEN1KMT2AGAAALDH1A1
SCHEMBL252281 0.74 RARB (0.49) MEN1KMT2AGAAEHMT2ALDH1A1

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 16/4885MEN1 4501/4885KMT2A 4580/4885

“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.