SCHEMBL975402

SCHEMBL975402

CCn1nnnc1-c1ccc([C@]2(c3ccc(OCc4nccs4)cc3)C[C@@H]3CC[C@H]2C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.44
PDE10A Q9Y233 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL975404 1.00 ALOX5AP (0.44) ALOX5APPDE10AGABRA1GABRG2GABRB3
SCHEMBL975428 0.90 ALOX5AP (0.45) ALOX5APGABRA1GABRG2GABRB3GABRA5
SCHEMBL975429 0.90 ALOX5AP (0.45) ALOX5APGABRA1GABRG2GABRB3GABRA5
SCHEMBL12920617 0.84 ALOX5AP (0.54) ALOX5APALOX5
SCHEMBL976419 0.84 ALOX5AP (0.54) ALOX5APALOX5
SCHEMBL976095 0.84 ALOX5AP (0.50) ALOX5AP
SCHEMBL976094 0.84 ALOX5AP (0.50) ALOX5AP
SCHEMBL12948098 0.83 ALOX5AP (0.52) ALOX5APALOX5
SCHEMBL976624 0.81 ALOX5AP (0.48) ALOX5APALOX5
SCHEMBL976622 0.81 ALOX5AP (0.48) 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885PDE10A 1523/4885GABRA1 2918/4885

“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.