SCHEMBL4430475

SCHEMBL4430475

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(F)c(F)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
FFAR4 Q5NUL3 1/20 0.51
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
PPARD Q03181 4/20 0.46
PTGER2 P43116 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PPARA Q07869 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
PLAU P00749 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
VCP P55072 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
SCHEMBL4433424 0.91 FFAR1 (0.53) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4434096 0.91 FFAR1 (0.52) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4429995 0.91 FFAR1 (0.49) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4430444 0.90 THRA (0.53) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4429912 0.89 FFAR1 (0.55) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4431251 0.88 FFAR1 (0.53) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4434991 0.88 RXRA (0.49) FFAR1FFAR4THRATHRBPPARD
SCHEMBL4435032 0.88 FFAR1 (0.61) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4431271 0.88 FFAR1 (0.48) FFAR1FFAR4THRATHRBMEN1
SCHEMBL4440031 0.87 FFAR1 (0.55) FFAR1FFAR4THRATHRBRXRA

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
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
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 FFAR1 30/4885FFAR4 42/4885THRA 126/4885

“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.