SCHEMBL3500832

SCHEMBL3500832

CCOC(=O)CCc1ccc(OCc2ccc3cccnc3c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
MAOB P27338 3/20 0.49
FFAR1 O14842 10/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL13311845 0.84 HDAC6 (0.48) FFAR1FFAR4
SCHEMBL13311847 0.83 MAOB (0.38) PPARGMAOBCYSLTR2CYSLTR1PPARD
SCHEMBL6359744 0.82 CYP4F2 (0.51) CYSLTR2CYSLTR1
SCHEMBL13348025 0.79 CYP3A4 (0.52) PPARGMAOBFFAR1FFAR4CYP3A4
SCHEMBL1587147 0.79 FFAR1 (0.48) MAOBFFAR1FFAR4
SCHEMBL10280893 0.79 FFAR1 (0.48) MAOBFFAR1FFAR4
SCHEMBL2822420 0.79 FFAR1 (0.48) MAOBFFAR1FFAR4
SCHEMBL13311841 0.78 MAOB (0.35) PPARGMAOBCYSLTR2CYSLTR1PPARD
SCHEMBL1747218 0.77 FFAR1 (0.65) FFAR1FFAR4
SCHEMBL1587099 0.77 FFAR1 (0.51) FFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 PPARG 52/4885MAOB 3933/4885FFAR1 14/4885

“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.