SCHEMBL4427574

SCHEMBL4427574

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)cc3F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
FAAH O00519 2/20 0.52
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
FFAR1 O14842 2/20 0.45
NR3C1 P04150 1/20 0.45
PPARG P37231 1/20 0.45
PLAU P00749 1/20 0.44
SRD5A2 P31213 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DHFR P00374 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
SCHEMBL4439766 0.89 AKR1C3 (0.52) PTGS2FAAHAKR1C3AKR1C2FFAR1
SCHEMBL4431706 0.88 THRA (0.49) PTGS2FAAHFFAR1NR3C1PPARG
SCHEMBL4434442 0.88 PTGS2 (0.50) PTGS2FAAHAKR1C3AKR1C2FFAR1
SCHEMBL4428893 0.88 PPARG (0.48) PTGS2FAAHFFAR1NR3C1PPARG
SCHEMBL4435039 0.87 FFAR1 (0.53) PTGS2FAAHFFAR1NR3C1PPARG
SCHEMBL4433434 0.87 AKR1C3 (0.57) PTGS2FAAHAKR1C3AKR1C2FFAR1
SCHEMBL4430177 0.86 THRB (0.50) PTGS2FAAHAKR1C3AKR1C2FFAR1
SCHEMBL4440065 0.85 NR3C1 (0.52) FFAR1NR3C1PPARGPLAUSRD5A2
SCHEMBL4433168 0.85 FFAR1 (0.52) PTGS2FAAHFFAR1FFAR4
SCHEMBL4441221 0.84 MRGPRX4 (0.56) FFAR1NR3C1PLAUSRD5A2PTGDR2

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 PTGS2 1099/4885FAAH 954/4885AKR1C3 1875/4885

“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.