SCHEMBL4440065

SCHEMBL4440065

O=C(O)Cc1cccc(Oc2cccc(-c3cccc(F)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
FFAR1 O14842 5/20 0.50
FFAR4 Q5NUL3 4/20 0.48
SRD5A2 P31213 1/20 0.46
GAA P10253 1/20 0.46
PLAU P00749 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CFD P00746 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
SCHEMBL4441221 0.90 MRGPRX4 (0.56) NR3C1FFAR1FFAR4SRD5A2GAA
SCHEMBL4431251 0.87 FFAR1 (0.53) NR3C1FFAR1FFAR4THRATHRB
SCHEMBL13802492 0.86 GRIN2D (0.55) FFAR1GAAKDM4ESMN1; SMN2
SCHEMBL4431271 0.86 FFAR1 (0.48) FFAR1FFAR4SRD5A2GAAPLAU
SCHEMBL4427574 0.85 PTGS2 (0.52) NR3C1FFAR1FFAR4SRD5A2GAA
SCHEMBL4433218 0.85 FFAR4 (0.48) FFAR1FFAR4SRD5A2GAAPLAU
SCHEMBL4428893 0.83 PPARG (0.48) NR3C1FFAR1SRD5A2PLAUTHRA
SCHEMBL4431706 0.83 THRA (0.49) NR3C1FFAR1FFAR4THRATHRB
SCHEMBL4437946 0.83 THRA (0.58) FFAR1FFAR4GAATHRATHRB
SCHEMBL4440017 0.83 PTGDR2 (0.52) FFAR1FFAR4GAATHRATHRB

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 NR3C1 402/4885FFAR1 30/4885FFAR4 42/4885

“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.