SCHEMBL6731318

SCHEMBL6731318

CCCOC(Cc1ccc(F)c(CO)c1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 7/20 0.35
MME P08473 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PPARA Q07869 7/20 0.34
EPHX2 P34913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARD Q03181 2/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4335122 0.84 ALDH1A1 (0.37) SMN1; SMN2PPARGMMECYP4F2CYP4A11
SCHEMBL6724780 0.82 PPARA (0.42) SMN1; SMN2PPARGCYP4F2CYP4A11PPARA
SCHEMBL6724782 0.77 CYP4F2 (0.49) SMN1; SMN2PPARGCYP4F2CYP4A11PPARA
SCHEMBL6731797 0.77 CYP4F2 (0.51) PPARGCYP4F2CYP4A11PPARAPPARD
SCHEMBL5379702 0.76 ESR1 (0.45) SMN1; SMN2PPARGPPARACYP2D6CYP2C19
SCHEMBL5379694 0.76 ESR1 (0.45) SMN1; SMN2PPARGPPARACYP2D6CYP2C19
SCHEMBL6723554 0.75 CYP4F2 (0.40) SMN1; SMN2PPARGCYP4F2CYP4A11PPARA
Hydrochloric Acid SCHEMBL6724404 0.74 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL6720362 0.73 MAPK1 (0.40) SMN1; SMN2PPARGCYP4F2CYP4A11PPARA
SCHEMBL6727094 0.73 GAA (0.46) SMN1; SMN2PPARGPPARACYP3A4PPARD

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-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SMN1; SMN2 3054/4885PPARG 379/4885MME 4040/4885

“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.