SCHEMBL4439747

SCHEMBL4439747

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(F)cc3C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
FFAR1 O14842 3/20 0.46
PPARG P37231 3/20 0.45
PTGER2 P43116 2/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
WDR5 P61964 4/20 0.41
NR3C1 P04150 1/20 0.40

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 0.90 AKR1C3 (0.52) THRATHRBFFAR1PPARGPTGER2
SCHEMBL4428893 0.90 PPARG (0.48) THRATHRBFFAR1PPARGPTGDR2
SCHEMBL4435340 0.88 THRA (0.56) THRATHRBFFAR1PPARGAKR1C3
SCHEMBL4434117 0.87 THRA (0.54) THRATHRBFFAR1FFAR4PTGDR2
SCHEMBL4431251 0.87 FFAR1 (0.53) THRATHRBFFAR1PTGER2FFAR4
SCHEMBL4429912 0.85 FFAR1 (0.55) THRATHRBFFAR1PTGER2FFAR4
SCHEMBL4429909 0.85 THRA (0.56) THRATHRBFFAR1AKR1C3AKR1C2
SCHEMBL4439762 0.84 THRA (0.52) THRATHRBFFAR1AKR1C3AKR1C2
SCHEMBL4441020 0.83 THRA (0.51) THRATHRBFFAR1PTGER2AKR1C3
SCHEMBL4429995 0.83 FFAR1 (0.49) THRATHRBFFAR1PTGER2FFAR4

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 130/4885FFAR1 30/4885

“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.