SCHEMBL16124582

SCHEMBL16124582

CCCCc1cccc(OC(=O)C(N)CO)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.49
▸ PPARG P37231 4/20 0.49
▸ ACHE P22303 3/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL16124570 0.92 ALOX5 (0.52) PPARAPPARGACHEALOX5
SCHEMBL16124597 0.85 ACHE (0.48) PPARAPPARGACHECYP2D6
SCHEMBL16124578 0.83 SPHK1 (0.52) SPHK1
SCHEMBL16124599 0.83 PPARA (0.48) PPARAPPARGACHECYP2D6SPHK1
SCHEMBL13416241 0.83 ACHE (0.41) PPARAPPARGACHECYP2D6MTNR1A
SCHEMBL13396358 0.81 ALOX5 (0.42) PPARAPPARGACHEALOX5MTNR1A
SCHEMBL13416257 0.80 ACHE (0.43) ACHEALOX5
SCHEMBL1790266 0.79 PPARA (0.57) PPARAPPARGACHECYP2D6MTNR1A
SCHEMBL16124584 0.79 ACHE (0.49) PPARAPPARGACHEALOX5
SCHEMBL13396357 0.78 ALOX5 (0.44) ACHEALOX5

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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PPARA 2870/4885PPARG 3056/4885ACHE 394/4885

“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.

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