SCHEMBL4432025

SCHEMBL4432025

O=C(O)Cc1cccc(Oc2cccc(-c3cc(Cl)ccc3Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.50
THRB P10828 9/20 0.50
PTGDR2 Q9Y5Y4 4/20 0.50
FFAR1 O14842 2/20 0.48
SHMT1 P34896 1/20 0.48
SHMT2 P34897 1/20 0.48
TBXA2R P21731 1/20 0.46
PTGER1 P34995 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
P2RX3 P56373 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
SCHEMBL4430151 0.90 SHMT1 (0.60) THRATHRBPTGDR2FFAR1SHMT1
SCHEMBL4437926 0.89 PTGDR2 (0.49) THRATHRBPTGDR2FFAR1SHMT1
SCHEMBL4428881 0.89 THRA (0.58) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4440017 0.85 PTGDR2 (0.52) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4434442 0.85 PTGS2 (0.50) THRATHRBPTGDR2FFAR1SHMT1
SCHEMBL4430002 0.85 SUCNR1 (0.51) THRATHRBPTGDR2FFAR1SHMT1
SCHEMBL4433185 0.84 PTGDR2 (0.51) THRATHRBPTGDR2FFAR1SHMT1
SCHEMBL4905224 0.84 THRA (0.51) THRATHRBPTGDR2FFAR1
SCHEMBL4904635 0.83 KMO (0.49) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL1421946 0.81 PPARG (0.61) PTGDR2FFAR1FFAR4PPARGPPARA

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 130/4885PTGDR2 626/4885

“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.