SCHEMBL9287992

SCHEMBL9287992

CCc1ccccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.50
FEN1 P39748 5/20 0.50
TRPA1 O75762 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
GRM5 P41594 1/20 0.40
KCNN4 O15554 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LOX P28300 1/20 0.37
PTPN5 P54829 1/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL23347204 0.83 ALOX5AP (0.56) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL11673411 0.82 GRM5 (0.49) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL17840122 0.79 FEN1 (0.42) ALOX5APFEN1CHRM2CHRM1CHRM3
SCHEMBL2395669 0.78 ATR (0.39) ALOX5APFEN1MAPTCHRM2CHRM1
SCHEMBL23075670 0.78 ALDH1A1 (0.41) ALOX5APFEN1PDE3BPDE3APTPN5
SCHEMBL2948017 0.78 ALOX5AP (0.54) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL21675486 0.77 ALOX5AP (0.42) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL2132813 0.77 FEN1 (0.41) ALOX5APFEN1CHRM2CHRM1CHRM3
SCHEMBL2950123 0.76 ALOX5AP (0.50) ALOX5APFEN1TRPA1PDE3BPDE3A
SCHEMBL2949321 0.76 ALOX5AP (0.53) ALOX5APFEN1TRPA1PDE3BPDE3A

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 ALOX5AP 1427/4885FEN1 4404/4885TRPA1 3202/4885

“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.