SCHEMBL975198

SCHEMBL975198

Cn1nnc(-c2ccc([C@]3(c4ccc(OCc5ccccn5)cc4)C[C@@H]4CC[C@H]3C4)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.56
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.41

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
SCHEMBL975687 0.90 ALOX5AP (0.58) ALOX5APALOX5
SCHEMBL12920616 0.90 ALOX5AP (0.58) ALOX5APALOX5
SCHEMBL975194 0.89 ALOX5AP (0.58) ALOX5APNPC1RAB9AALOX5
SCHEMBL12920615 0.88 ALOX5AP (0.51) ALOX5APALOX5
SCHEMBL975852 0.88 ALOX5AP (0.51) ALOX5APALOX5
SCHEMBL975445 0.87 ALOX5AP (0.58) ALOX5APNPC1RAB9AALOX5
SCHEMBL12920618 0.87 ALOX5AP (0.54) ALOX5APALOX5
SCHEMBL976848 0.84 ALOX5AP (0.56) ALOX5APALOX5
SCHEMBL976624 0.83 ALOX5AP (0.48) ALOX5APNPC1NFKB1RAB9ANFKB2
SCHEMBL976622 0.83 ALOX5AP (0.48) ALOX5APNPC1NFKB1RAB9ANFKB2

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 47/4885NPC1 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.