SCHEMBL9289342

SCHEMBL9289342

CCc1ccccc1-c1cc(F)cc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CTSA P10619 14/20 0.38
TRPA1 O75762 1/20 0.38
MET P08581 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL11673411 0.85 GRM5 (0.49) GRM5ALOX5APFEN1TRPA1PPARG
SCHEMBL12945561 0.79 LMNA (0.40) GRM5ALOX5APFEN1CTSAMET
SCHEMBL9289362 0.78 GRM5 (0.44) GRM5ALOX5APFEN1TRPA1
SCHEMBL9258487 0.75 TRPA1 (0.38) CTSATRPA1MET
SCHEMBL9288060 0.75 ALOX5AP (0.46) GRM5ALOX5APFEN1TRPA1
SCHEMBL3159085 0.75 DPP4 (0.34)
SCHEMBL31708384 0.75 ALOX5AP (0.46) GRM5ALOX5APFEN1TRPA1
SCHEMBL27405271 0.74 RXRA (0.42) MET
SCHEMBL24526794 0.74 PTGER1 (0.55) GRM5PPARGPPARA
SCHEMBL29759316 0.74 PTGER1 (0.55) GRM5PPARGPPARA

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP GRM5 2955/4885ALOX5AP 1427/4885FEN1 4404/4885

“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.