SCHEMBL5122986

SCHEMBL5122986

COCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
FFAR4 Q5NUL3 4/20 0.47
FFAR1 O14842 4/20 0.47
PIM1 P11309 1/20 0.46
SLC13A5 Q86YT5 1/20 0.44
MAPK14 Q16539 1/20 0.43
CTSA P10619 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MME P08473 1/20 0.41
NR4A2 P43354 1/20 0.39
DHODH Q02127 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SLC5A1 P13866 1/20 0.39

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
SCHEMBL5122441 0.95 FFAR4 (0.52) THRATHRBFFAR4FFAR1PIM1
SCHEMBL5132497 0.91 THRA (0.52) THRATHRBFFAR4FFAR1SLC13A5
SCHEMBL14032746 0.89 THRA (0.48) THRATHRBFFAR4FFAR1MAPK14
SCHEMBL5129213 0.88 THRA (0.53) THRATHRBFFAR4FFAR1SLC13A5
SCHEMBL4435008 0.88 THRA (0.55) THRATHRBFFAR4FFAR1SLC13A5
SCHEMBL5128345 0.88 FFAR1 (0.50) THRATHRBFFAR4FFAR1PPARD
SCHEMBL5129224 0.86 FFAR4 (0.50) THRATHRBFFAR4FFAR1SLC13A5
SCHEMBL5123906 0.85 FFAR1 (0.62) THRATHRBFFAR4FFAR1SLC13A5
SCHEMBL5122627 0.84 THRA (0.42) THRATHRBFFAR4FFAR1PIM1
SCHEMBL5129447 0.84 FFAR4 (0.53) THRATHRBFFAR4FFAR1SLC13A5

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-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD THRA 228/4885THRB 130/4885FFAR4 60/4885

“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.