SCHEMBL4431706

SCHEMBL4431706

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)cc3Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.49
THRB P10828 9/20 0.49
SHMT1 P34896 1/20 0.46
SHMT2 P34897 1/20 0.46
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
NR3C1 P04150 1/20 0.43
PPARG P37231 1/20 0.43
FAAH O00519 1/20 0.43
PTGS2 P35354 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
SCHEMBL4435340 0.89 THRA (0.56) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4430151 0.88 SHMT1 (0.60) THRATHRBSHMT1SHMT2FFAR1
SCHEMBL4427574 0.88 PTGS2 (0.52) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4428893 0.86 PPARG (0.48) THRATHRBFFAR1PTGDR2NR3C1
SCHEMBL4441503 0.85 THRB (0.57) THRATHRBSHMT1SHMT2FFAR1
SCHEMBL4440065 0.83 NR3C1 (0.52) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4434442 0.83 PTGS2 (0.50) THRATHRBSHMT1SHMT2FFAR1
SCHEMBL4434998 0.83 FFAR1 (0.57) THRATHRBSHMT1SHMT2FFAR1
SCHEMBL4441221 0.82 MRGPRX4 (0.56) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4437926 0.82 PTGDR2 (0.49) THRATHRBSHMT1SHMT2FFAR1

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 THRA 126/4885THRB 130/4885SHMT1 2494/4885

“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.