SCHEMBL978643

SCHEMBL978643

O=C(NC1CC1)c1ccc([C@]2(c3ccc(OC(c4ccccn4)C(F)(F)F)cc3)CC3CC[C@H]2C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.43
SLC2A1 P11166 1/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD3 Q15059 1/20 0.37

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
SCHEMBL977306 0.87 BRD4 (0.47) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL977307 0.87 BRD4 (0.47) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL976521 0.86 ALOX5AP (0.43) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL3656371 0.86 ALOX5AP (0.43) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL976908 0.86 ALOX5AP (0.42) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL976910 0.86 ALOX5AP (0.42) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL974874 0.85 ALOX5AP (0.44) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL974876 0.85 ALOX5AP (0.44) ALOX5APBRD4BRD2KCNH2BRD3
SCHEMBL977086 0.80 ALOX5AP (0.58) ALOX5AP
SCHEMBL977088 0.80 ALOX5AP (0.58) 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 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 47/4885SLC2A1 2524/4885BRD4 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.