SCHEMBL976622

SCHEMBL976622

Cn1nnc(-c2ccc([C@]3(c4ccc(OCc5nccs5)cc4)C[C@@H]4CC[C@H]3C4)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.48
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
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
SCHEMBL976624 1.00 ALOX5AP (0.48) ALOX5APNPC1NFKB1RAB9ANFKB2
SCHEMBL976094 0.91 ALOX5AP (0.50) ALOX5AP
SCHEMBL976095 0.91 ALOX5AP (0.50) ALOX5AP
SCHEMBL975262 0.85 ALOX5AP (0.52) ALOX5APALOX5
SCHEMBL975261 0.85 ALOX5AP (0.52) ALOX5APALOX5
SCHEMBL975429 0.84 ALOX5AP (0.45) ALOX5APALOX5
SCHEMBL975428 0.84 ALOX5AP (0.45) ALOX5APALOX5
SCHEMBL975198 0.83 ALOX5AP (0.56) ALOX5APNPC1NFKB1RAB9ANFKB2
SCHEMBL977335 0.82 ALOX5AP (0.47) ALOX5AP
SCHEMBL977336 0.82 ALOX5AP (0.47) ALOX5AP

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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885NPC1 721/4885NFKB1 307/4885

“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.