SCHEMBL4435008

SCHEMBL4435008

COc1cc(CC(=O)O)cc(Oc2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.55
THRB P10828 4/20 0.55
FFAR1 O14842 3/20 0.48
FFAR4 Q5NUL3 2/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
SLC13A5 Q86YT5 2/20 0.47
MAPK14 Q16539 1/20 0.45
CTSA P10619 2/20 0.44
MME P08473 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
LMNA P02545 1/20 0.43
CETP P11597 1/20 0.42
PPARD Q03181 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
SCHEMBL4441015 0.94 FFAR1 (0.54) THRATHRBFFAR1FFAR4RXRA
SCHEMBL5129213 0.89 THRA (0.53) THRATHRBFFAR1FFAR4RXRA
SCHEMBL5122986 0.88 THRA (0.51) THRATHRBFFAR1FFAR4SLC13A5
SCHEMBL4437946 0.88 THRA (0.58) THRATHRBFFAR1FFAR4SLC13A5
SCHEMBL4435667 0.87 RXRA (0.59) THRATHRBFFAR1FFAR4RXRA
SCHEMBL5132497 0.87 THRA (0.52) THRATHRBFFAR1FFAR4RXRA
SCHEMBL5057534 0.86 RXRA (0.61) THRATHRBFFAR1FFAR4RXRA
SCHEMBL4431251 0.86 FFAR1 (0.53) THRATHRBFFAR1FFAR4RXRA
SCHEMBL4435032 0.85 FFAR1 (0.61) THRATHRBFFAR1FFAR4RXRA
SCHEMBL4429912 0.85 FFAR1 (0.55) THRATHRBFFAR1FFAR4RXRA

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 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.