SCHEMBL5129447

SCHEMBL5129447

COCCOc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.53
FFAR1 O14842 2/20 0.53
THRA P10827 4/20 0.45
THRB P10828 4/20 0.45
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
NR4A2 P43354 1/20 0.40
DHODH Q02127 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
SMPD1 P17405 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SHMT1 P34896 1/20 0.39
SHMT2 P34897 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL5123906 0.90 FFAR1 (0.62) FFAR4FFAR1THRATHRBPTGDR2
SCHEMBL5129079 0.90 FFAR4 (0.51) FFAR4FFAR1THRATHRBSLC13A5
SCHEMBL5129147 0.90 FFAR1 (0.47) FFAR4FFAR1THRATHRBNR4A2
SCHEMBL5123879 0.88 FFAR1 (0.57) FFAR4FFAR1THRATHRBSLC13A5
SCHEMBL5126060 0.88 RXRA (0.52) FFAR4FFAR1THRATHRBSLC13A5
SCHEMBL4440031 0.88 FFAR1 (0.55) FFAR4FFAR1THRATHRBSLC13A5
SCHEMBL5128345 0.87 FFAR1 (0.50) FFAR4FFAR1THRATHRBPPARA
SCHEMBL5122441 0.86 FFAR4 (0.52) FFAR4FFAR1THRATHRBSLC13A5
SCHEMBL5122986 0.84 THRA (0.51) FFAR4FFAR1THRATHRBNR4A2
SCHEMBL5132456 0.84 FFAR1 (0.49) FFAR4FFAR1THRATHRBNR4A2

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 FFAR4 60/4885FFAR1 57/4885THRA 228/4885

“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.