SCHEMBL4433424

SCHEMBL4433424

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(OC)c(F)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.53
PPARD Q03181 6/20 0.52
PPARA Q07869 2/20 0.51
FFAR4 Q5NUL3 1/20 0.49
PTGER2 P43116 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PLAU P00749 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PAX8 Q06710 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
SCHEMBL4441134 0.92 FFAR1 (0.52) FFAR1PPARDPPARAFFAR4PLAU
SCHEMBL5128308 0.92 FFAR1 (0.53) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL4430475 0.91 FFAR1 (0.51) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL5126122 0.90 FFAR1 (0.49) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL5132456 0.90 FFAR1 (0.49) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL4434096 0.89 FFAR1 (0.52) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL4429912 0.87 FFAR1 (0.55) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL5129275 0.87 PPARD (0.55) FFAR1PPARDPPARAFFAR4
SCHEMBL4429995 0.87 FFAR1 (0.49) FFAR1PPARDPPARAFFAR4PTGER2
SCHEMBL4431251 0.86 FFAR1 (0.53) FFAR1PPARDPPARAFFAR4PTGER2

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 5 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
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 FFAR1 30/4885PPARD 3/4885PPARA 1/4885

“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.