SCHEMBL14690141

SCHEMBL14690141

CCOc1ccc(-c2ccc(F)c(F)c2)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 1/20 0.44
ERN1 O75460 4/20 0.44
CHRNA7 P36544 3/20 0.41
HMOX1 P09601 3/20 0.40
PTGS2 P35354 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SSTR5 P35346 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL14690054 0.83 ERN1 (0.43) FFAR4FFAR1ERN1HMOX1PTGS2
SCHEMBL3851503 0.82 NQO1 (0.45) FFAR4FFAR1ERN1ALDH1A1MAPT
SCHEMBL289510 0.82 CTSL (0.43) FFAR4FFAR1ERN1HMOX1SSTR5
SCHEMBL2599795 0.81 FFAR4 (0.47) FFAR4ERN1ALOX5APFEN1
SCHEMBL2599698 0.79 ERN1 (0.42) FFAR4FFAR1ERN1CHRNA7PTGS2
SCHEMBL7247955 0.77 ERN1 (0.57) FFAR4FFAR1ERN1CHRNA7ALDH1A1
SCHEMBL3170130 0.76 NQO1 (0.45) FFAR4FFAR1ERN1ALDH1A1MAPT
SCHEMBL9751747 0.75 NQO1 (0.54) FFAR4FFAR1CHRNA7ALDH1A1CYP11B1
SCHEMBL1547853 0.75 NQO1 (0.56) FFAR4FFAR1CHRNA7ALDH1A1MAPT
SCHEMBL19497944 0.74 ERN1 (0.54) FFAR4FFAR1ERN1ALDH1A1MAPT

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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 FFAR4 122/4885FFAR1 113/4885ERN1 2810/4885

“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.