SCHEMBL976566

SCHEMBL976566

CC(Oc1ccc([C@]2(c3ccc(C(=O)NCC(C)(C)O)cc3)C[C@@H]3CC[C@H]2C3)cc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.41
JAK3 P52333 1/20 0.38
BRD4 O60885 3/20 0.37
CREBBP Q92793 1/20 0.37
ADORA2B P29275 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL976564 1.00 ALOX5AP (0.41) ALOX5APJAK3BRD4CREBBPADORA2B
SCHEMBL976688 0.91 ALOX5AP (0.40) ALOX5AP
SCHEMBL976687 0.91 ALOX5AP (0.40) ALOX5AP
SCHEMBL977307 0.86 BRD4 (0.47) ALOX5APJAK3BRD4CREBBP
SCHEMBL977306 0.86 BRD4 (0.47) ALOX5APJAK3BRD4CREBBP
SCHEMBL977715 0.85 ALOX5AP (0.54) ALOX5AP
SCHEMBL977714 0.85 ALOX5AP (0.54) ALOX5AP
SCHEMBL3656371 0.78 ALOX5AP (0.43) ALOX5APBRD4
SCHEMBL976521 0.78 ALOX5AP (0.43) ALOX5APBRD4
SCHEMBL974874 0.77 ALOX5AP (0.44) ALOX5APBRD4

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 47/4885JAK3 4279/4885BRD4 1514/4885

“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.