SCHEMBL4320139

SCHEMBL4320139

COc1ccc(OC)c(C2(c3ccccc3)CC(C)(C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
ALOX5AP P20292 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL4326809 0.87 OPRM1 (0.41) SIRT1ALOX5APCA12CA1CA2
SCHEMBL4238197 0.86 OPRM1 (0.45) SIRT1ALOX5APCA12CA1CA2
SCHEMBL13750300 0.84 EHMT2 (0.47) SIRT1ALOX5APCA12CA1CA2
SCHEMBL4316024 0.84 ALOX5AP (0.49) ALOX5APCA12CA1CA2CA7
SCHEMBL4334010 0.81 ALOX5AP (0.42) SIRT1ALOX5APCA12CA1CA2
SCHEMBL4229836 0.81 SIRT1 (0.44) SIRT1CA12CA1CA2CA7
SCHEMBL4317852 0.81 CA12 (0.40) SIRT1ALOX5APCA12CA1CA2
SCHEMBL13750306 0.79 MEN1 (0.53) SIRT1ALOX5APMAPTALDH1A1OPRM1
SCHEMBL13750304 0.77 MEN1 (0.46) SIRT1MAPTALDH1A1OPRM1OPRL1
SCHEMBL13750315 0.76 SIGMAR1 (0.42) SIRT1ALOX5APMAPTMEN1KMT2A

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-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

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 SIRT1 2001/4885ALOX5AP 16/4885CA12 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.