SCHEMBL4324958

SCHEMBL4324958

CC1CC(c2ccccc2)(c2cc(OCc3ccc4cc(F)ccc4n3)ccc2-c2cnnn2C)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.53
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ALOX5 P09917 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
SCHEMBL4319664 0.86 ALOX5AP (0.53) ALOX5APPDE4APDE4BPDE10A
SCHEMBL4317266 0.85 ALOX5AP (0.62) ALOX5APPDE4APDE4BPDE10A
SCHEMBL4312755 0.85 ALOX5AP (0.53) ALOX5APPDE4APDE4BPDE10AALOX5
SCHEMBL4326814 0.85 ALOX5AP (0.53) ALOX5APPDE4APDE4BPDE10A
SCHEMBL4317707 0.84 ALOX5AP (0.53) ALOX5APPDE4APDE4BPDE10A
SCHEMBL4331378 0.83 ALOX5AP (0.60) ALOX5APALOX5
SCHEMBL4327149 0.83 ALOX5AP (0.56) ALOX5APALOX5
SCHEMBL4318420 0.82 ALOX5AP (0.57) ALOX5APALOX5
SCHEMBL4458480 0.82 ALOX5AP (0.51) ALOX5APPDE4APDE4BPDE10AALOX5
SCHEMBL4319689 0.82 ALOX5AP (0.63) ALOX5APALOX5

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 1 patent. 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

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 16/4885PDE4A 549/4885PDE4B 723/4885

“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.