SCHEMBL4431271

SCHEMBL4431271

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
SRD5A2 P31213 1/20 0.47
PLAU P00749 3/20 0.47
FFAR4 Q5NUL3 5/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
CFD P00746 1/20 0.43

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
SCHEMBL4434293 0.88 THRA (0.46) FFAR1SRD5A2PLAUFFAR4GRIN2D
SCHEMBL4433218 0.88 FFAR4 (0.48) FFAR1SRD5A2PLAUFFAR4GRIN2D
SCHEMBL4431702 0.88 PLAU (0.47) FFAR1SRD5A2PLAUFFAR4GRIN2D
SCHEMBL4430475 0.88 FFAR1 (0.51) FFAR1PLAUFFAR4MEN1KMT2A
SCHEMBL4441221 0.88 MRGPRX4 (0.56) FFAR1SRD5A2PLAUFFAR4GRIN2D
SCHEMBL29459929 0.87 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4218863 0.87 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4441134 0.86 FFAR1 (0.52) FFAR1PLAUFFAR4GAAPTGDR2
SCHEMBL4432415 0.86 RXRA (0.50) FFAR1SRD5A2PLAUFFAR4GRIN2D
SCHEMBL4433182 0.86 PLAU (0.48) FFAR1SRD5A2PLAUFFAR4GAA

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 30/4885SRD5A2 971/4885PLAU 1245/4885

“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.