SCHEMBL4334010

SCHEMBL4334010

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.42
KDM1A O60341 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4238197 0.85 OPRM1 (0.45) ALOX5APKDM1ACA12CA1CA2
SCHEMBL13750300 0.82 EHMT2 (0.47) ALOX5APCA12CA1CA2CA7
SCHEMBL4316024 0.82 ALOX5AP (0.49) ALOX5APCA12CA1CA2CA7
SCHEMBL4320139 0.81 SIRT1 (0.42) ALOX5APKDM1ACA12CA1CA2
SCHEMBL4229836 0.80 SIRT1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4317852 0.80 CA12 (0.40) ALOX5APKDM1ACA12CA1CA2
SCHEMBL4326809 0.80 OPRM1 (0.41) ALOX5APKDM1ACA12CA1CA2
SCHEMBL13750306 0.78 MEN1 (0.53) ALOX5APMAPTMEN1KMT2AGAA
SCHEMBL13750304 0.76 MEN1 (0.46) MAPTMEN1KMT2AGAASIRT1
SCHEMBL13750315 0.75 SIGMAR1 (0.42) ALOX5APMAPTMEN1KMT2AGAA

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 ALOX5AP 16/4885KDM1A 2751/4885CA12 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.