SCHEMBL4429928

SCHEMBL4429928

O=C(O)Cc1cccc(Oc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.55
THRB P10828 2/20 0.55
SLC13A5 Q86YT5 1/20 0.53
MAPK14 Q16539 1/20 0.50
FFAR4 Q5NUL3 4/20 0.49
FFAR1 O14842 4/20 0.49
MME P08473 1/20 0.48
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
RXRA P19793 1/20 0.47
SERPINE1 P05121 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL4437946 0.94 THRA (0.58) THRATHRBSLC13A5MAPK14FFAR4
SCHEMBL23972417 0.91 NR1H2 (0.53) THRATHRBSLC13A5MMENR1H2
SCHEMBL4441015 0.89 FFAR1 (0.54) THRATHRBSLC13A5MAPK14FFAR4
SCHEMBL23296153 0.87 SLC13A5 (0.56) THRATHRBSLC13A5MAPK14FFAR4
SCHEMBL5126507 0.87 RXRA (0.53) THRATHRBSLC13A5FFAR4FFAR1
SCHEMBL5057604 0.86 PSEN1 (0.54) THRATHRBFFAR4FFAR1NR1H2
SCHEMBL5129224 0.85 FFAR4 (0.50) THRATHRBSLC13A5FFAR4FFAR1
SCHEMBL4441221 0.84 MRGPRX4 (0.56) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5122441 0.84 FFAR4 (0.52) THRATHRBSLC13A5MAPK14FFAR4
SCHEMBL761677 0.84 MAPK14 (0.54) THRATHRBSLC13A5MAPK14FFAR4

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 130/4885SLC13A5 3682/4885

“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.