SCHEMBL4430163

SCHEMBL4430163

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.58
THRB P10828 9/20 0.58
SHMT1 P34896 1/20 0.48
SHMT2 P34897 1/20 0.48
BCL2L1 Q07817 2/20 0.45
MCL1 Q07820 2/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
DPP4 P27487 1/20 0.41
DGAT2 Q96PD7 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
SCHEMBL4428881 0.91 THRA (0.58) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4434117 0.90 THRA (0.54) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4437915 0.89 THRA (0.53) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4435340 0.89 THRA (0.56) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4430151 0.89 SHMT1 (0.60) THRATHRBSHMT1SHMT2BCL2L1
SCHEMBL4430817 0.88 THRA (0.54) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4435379 0.88 THRA (0.56) THRATHRBFFAR1FFAR4
SCHEMBL4428889 0.88 THRA (0.54) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL4439771 0.87 THRB (0.54) THRATHRBPTGDR2DGAT2
SCHEMBL4440031 0.86 FFAR1 (0.55) THRATHRBFFAR1FFAR4

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.