SCHEMBL4435667

SCHEMBL4435667

COc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
RXRG P48443 3/20 0.59
THRA P10827 4/20 0.53
THRB P10828 4/20 0.53
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
PPARD Q03181 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL5057534 0.92 RXRA (0.61) RXRARXRBRXRGTHRATHRB
SCHEMBL5123953 0.89 RXRA (0.60) RXRARXRBRXRGTHRATHRB
SCHEMBL14032746 0.88 THRA (0.48) RXRARXRBRXRGTHRATHRB
SCHEMBL4432456 0.88 THRA (0.55) RXRARXRBRXRGTHRATHRB
SCHEMBL4441534 0.87 AKR1C3 (0.51) RXRARXRBRXRGTHRATHRB
SCHEMBL4435008 0.87 THRA (0.55) RXRARXRBRXRGTHRATHRB
SCHEMBL5132000 0.87 RXRA (0.50) RXRARXRBRXRGTHRATHRB
SCHEMBL4439771 0.87 THRB (0.54) RXRARXRBRXRGTHRATHRB
SCHEMBL4434991 0.85 RXRA (0.49) RXRARXRBRXRGTHRATHRB
SCHEMBL4431251 0.85 FFAR1 (0.53) RXRARXRBRXRGTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD RXRA 13/4885RXRB 14/4885RXRG 10/4885

“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.