SCHEMBL4238197

SCHEMBL4238197

COc1ccc(OC)c(C2(c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALOX5AP P20292 3/20 0.43
SIRT1 Q96EB6 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL13750300 0.94 EHMT2 (0.47) OPRM1OPRL1CA12CA1CA2
SCHEMBL4316024 0.94 ALOX5AP (0.49) OPRM1OPRL1CA12CA1CA2
SCHEMBL13750306 0.89 MEN1 (0.53) OPRM1OPRL1ALOX5APSIRT1MAPT
SCHEMBL4326809 0.88 OPRM1 (0.41) OPRM1OPRL1CA12CA1CA2
SCHEMBL4320139 0.86 SIRT1 (0.42) OPRM1OPRL1CA12CA1CA2
SCHEMBL4334010 0.85 ALOX5AP (0.42) OPRM1OPRL1CA12CA1CA2
SCHEMBL4229836 0.85 SIRT1 (0.44) OPRM1OPRL1CA12CA1CA2
SCHEMBL4317852 0.85 CA12 (0.40) OPRM1OPRL1CA12CA1CA2
SCHEMBL13750304 0.83 MEN1 (0.46) OPRM1OPRL1SIRT1MAPTMEN1
SCHEMBL13750315 0.82 SIGMAR1 (0.42) ALOX5APSIRT1MAPTMEN1KMT2A

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 6 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
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
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 OPRM1 1410/4885OPRL1 519/4885CA12 4437/4885

“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.