SCHEMBL4431702

SCHEMBL4431702

Cc1cc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.47
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 3/20 0.45
SRD5A2 P31213 2/20 0.45
PLG P00747 2/20 0.44
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
FAAH O00519 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PLAT P00750 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL4433218 0.90 FFAR4 (0.48) PLAUFFAR4FFAR1SRD5A2PLG
SCHEMBL4429995 0.90 FFAR1 (0.49) PLAUFFAR4FFAR1THRATHRB
SCHEMBL4431271 0.88 FFAR1 (0.48) PLAUFFAR4FFAR1SRD5A2GRIN2D
SCHEMBL4433182 0.85 PLAU (0.48) PLAUFFAR4FFAR1SRD5A2PLG
SCHEMBL4434293 0.85 THRA (0.46) PLAUFFAR4FFAR1SRD5A2GRIN2D
SCHEMBL4441221 0.84 MRGPRX4 (0.56) PLAUFFAR4FFAR1SRD5A2GRIN2D
SCHEMBL4432415 0.83 RXRA (0.50) PLAUFFAR4FFAR1SRD5A2GRIN2D
SCHEMBL4441134 0.83 FFAR1 (0.52) PLAUFFAR4FFAR1PLGGAA
SCHEMBL4440065 0.83 NR3C1 (0.52) PLAUFFAR4FFAR1SRD5A2GAA
SCHEMBL4433185 0.82 PTGDR2 (0.51) FFAR4FFAR1GRIN2DGRIN3BGRIN1

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 PLAU 1245/4885FFAR4 42/4885FFAR1 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.