SCHEMBL5128345

SCHEMBL5128345

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.50
FFAR4 Q5NUL3 3/20 0.50
RXRA P19793 4/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
THRB P10828 2/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
THRA P10827 1/20 0.41

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
SCHEMBL14032746 0.93 THRA (0.48) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5131833 0.91 RXRA (0.52) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5122441 0.89 FFAR4 (0.52) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5128706 0.89 RXRA (0.62) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5057534 0.89 RXRA (0.61) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5122986 0.88 THRA (0.51) FFAR1FFAR4THRBPPARDPPARA
SCHEMBL5123906 0.88 FFAR1 (0.62) FFAR1FFAR4NR1H3THRBPPARD
SCHEMBL5129447 0.87 FFAR4 (0.53) FFAR1FFAR4RXRARXRBTHRB
SCHEMBL5123879 0.86 FFAR1 (0.57) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL14605870 0.86 FFAR4 (0.42) FFAR1FFAR4NR1H2NR1H3BCL2L1

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 FFAR1 57/4885FFAR4 60/4885RXRA 8/4885

“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.