SCHEMBL4434293

SCHEMBL4434293

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)c(Cl)c3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.46
THRB P10828 7/20 0.46
FFAR1 O14842 2/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
PLAU P00749 2/20 0.44
SRD5A2 P31213 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
ICMT O60725 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
GAA P10253 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
SCHEMBL4430444 0.89 THRA (0.53) THRATHRBFFAR1FFAR4
SCHEMBL4431271 0.88 FFAR1 (0.48) THRATHRBFFAR1PTGDR2PLAU
SCHEMBL4904635 0.88 KMO (0.49) THRATHRBFFAR1PTGDR2FFAR4
SCHEMBL4433185 0.87 PTGDR2 (0.51) THRATHRBFFAR1PTGDR2FFAR4
SCHEMBL5131709 0.87 FFAR1 (0.47) THRATHRBFFAR1PLAUFFAR4
SCHEMBL4440017 0.85 PTGDR2 (0.52) THRATHRBFFAR1PTGDR2FFAR4
SCHEMBL4431702 0.85 PLAU (0.47) THRATHRBFFAR1PTGDR2PLAU
SCHEMBL5126835 0.85 FFAR1 (0.45) THRATHRBFFAR1FFAR4ICMT
SCHEMBL4441221 0.84 MRGPRX4 (0.56) THRATHRBFFAR1PTGDR2PLAU
SCHEMBL5129147 0.84 FFAR1 (0.47) THRATHRBFFAR1PLAUFFAR4

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 THRA 126/4885THRB 130/4885FFAR1 30/4885

“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.