SCHEMBL4435340

SCHEMBL4435340

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(F)cc3Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.56
THRB P10828 9/20 0.56
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PPARG P37231 2/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
WDR5 P61964 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 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
SCHEMBL4430163 0.89 THRA (0.58) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4439766 0.89 AKR1C3 (0.52) THRATHRBAKR1C3AKR1C2PPARG
SCHEMBL4431706 0.89 THRA (0.49) THRATHRBPPARGFFAR1FFAR4
SCHEMBL4439747 0.88 THRA (0.49) THRATHRBAKR1C3AKR1C2PPARG
SCHEMBL4439771 0.87 THRB (0.54) THRATHRBAKR1C3AKR1C2PTGDR2
SCHEMBL4435379 0.86 THRA (0.56) THRATHRBFFAR1FFAR4
SCHEMBL4431251 0.86 FFAR1 (0.53) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4437915 0.85 THRA (0.53) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4429912 0.85 FFAR1 (0.55) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4430817 0.84 THRA (0.54) THRATHRBAKR1C3AKR1C2FFAR1

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 130/4885AKR1C3 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.