SCHEMBL5129196

SCHEMBL5129196

CCOc1cc(CC(=O)O)cc(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.65
RXRB P28702 6/20 0.65
RXRG P48443 6/20 0.65
PPARD Q03181 8/20 0.51
PPARA Q07869 4/20 0.51
THRB P10828 2/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
PPARG P37231 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 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
SCHEMBL5128706 0.90 RXRA (0.62) RXRARXRBRXRGPPARDPPARA
SCHEMBL5051553 0.83 RXRA (0.51) RXRARXRBRXRGPPARDPPARA
SCHEMBL5123953 0.82 RXRA (0.60) RXRARXRBRXRGPPARDTHRB
SCHEMBL5131833 0.82 RXRA (0.52) RXRARXRBRXRGPPARDPPARA
SCHEMBL5131457 0.81 PSEN1 (0.54) PPARDPPARAPSEN1PPARGPTGDR2
SCHEMBL5126507 0.80 RXRA (0.53) RXRARXRBRXRGPPARDTHRB
SCHEMBL5128966 0.80 FFAR1 (0.56) RXRARXRBRXRGPPARDTHRB
SCHEMBL5050131 0.79 RXRA (0.49) RXRARXRBRXRGPPARDPSEN1
SCHEMBL5128345 0.79 FFAR1 (0.50) RXRARXRBRXRGPPARDPPARA
SCHEMBL5057534 0.78 RXRA (0.61) RXRARXRBRXRGPPARDTHRB

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 6 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
EP-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO 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 RXRA 8/4885RXRB 4/4885RXRG 5/4885

“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.