SCHEMBL4430808

SCHEMBL4430808

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(OCc4ccccc4)cc3F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.56
PPARD Q03181 8/20 0.56
PPARA Q07869 2/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MAOB P27338 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL4433168 0.91 FFAR1 (0.52) FFAR1PPARD
SCHEMBL4429909 0.91 THRA (0.56) FFAR1PPARDPPARATHRATHRB
SCHEMBL4433434 0.87 AKR1C3 (0.57) FFAR1PPARDTHRATHRBAKR1C3
SCHEMBL4439766 0.86 AKR1C3 (0.52) FFAR1PPARDTHRATHRBAKR1C3
SCHEMBL4439762 0.86 THRA (0.52) FFAR1PPARDTHRATHRBAKR1C3
SCHEMBL4437915 0.84 THRA (0.53) FFAR1PPARDTHRATHRBAKR1C3
SCHEMBL4441534 0.82 AKR1C3 (0.51) THRATHRBAKR1C3AKR1C2PTGDR2
SCHEMBL4441020 0.81 THRA (0.51) FFAR1PPARDPPARATHRATHRB
SCHEMBL4430817 0.79 THRA (0.54) FFAR1PPARDTHRATHRBAKR1C3
SCHEMBL4439747 0.79 THRA (0.49) FFAR1THRATHRBAKR1C3AKR1C2

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.