SCHEMBL4433182

SCHEMBL4433182

COc1cc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.48
FFAR1 O14842 6/20 0.47
PPARD Q03181 4/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
PLG P00747 1/20 0.44
PPARA Q07869 2/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRD5A2 P31213 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL4441134 0.91 FFAR1 (0.52) PLAUFFAR1PPARDFFAR4PTGDR2
SCHEMBL4431271 0.86 FFAR1 (0.48) PLAUFFAR1FFAR4PTGDR2THRA
SCHEMBL4431702 0.85 PLAU (0.47) PLAUFFAR1FFAR4PTGDR2PLG
SCHEMBL4433180 0.84 FFAR1 (0.60) FFAR1FFAR4PTGDR2THRATHRB
SCHEMBL4434293 0.83 THRA (0.46) PLAUFFAR1FFAR4PTGDR2THRA
SCHEMBL4433218 0.83 FFAR4 (0.48) PLAUFFAR1FFAR4PLGTHRA
SCHEMBL4433424 0.83 FFAR1 (0.53) PLAUFFAR1PPARDFFAR4PTGDR2
SCHEMBL4430475 0.82 FFAR1 (0.51) PLAUFFAR1PPARDFFAR4PTGDR2
SCHEMBL4441221 0.82 MRGPRX4 (0.56) PLAUFFAR1FFAR4PTGDR2THRA
SCHEMBL4432415 0.81 RXRA (0.50) PLAUFFAR1PPARDFFAR4PPARA

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 1245/4885FFAR1 30/4885PPARD 3/4885

“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.