SCHEMBL4429909

SCHEMBL4429909

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.56
THRB P10828 3/20 0.56
AKR1C3 P42330 5/20 0.55
AKR1C2 P52895 5/20 0.55
FFAR1 O14842 5/20 0.49
PPARD Q03181 3/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PTGS2 P35354 2/20 0.48
FAAH O00519 1/20 0.48
CTSA P10619 1/20 0.46
LMNA P02545 1/20 0.44
PPARA Q07869 1/20 0.44
PTGS1 P23219 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
SCHEMBL4433434 0.93 AKR1C3 (0.57) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4439766 0.92 AKR1C3 (0.52) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4430808 0.91 FFAR1 (0.56) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4437915 0.90 THRA (0.53) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4439762 0.90 THRA (0.52) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4441534 0.89 AKR1C3 (0.51) THRATHRBAKR1C3AKR1C2PTGS2
SCHEMBL4441020 0.87 THRA (0.51) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4439747 0.85 THRA (0.49) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4430817 0.85 THRA (0.54) THRATHRBAKR1C3AKR1C2FFAR1
SCHEMBL4430475 0.84 FFAR1 (0.51) THRATHRBFFAR1PPARDFFAR4

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.