SCHEMBL5586019

SCHEMBL5586019

COc1ccc(-c2nc(CO)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.52
RXRA P19793 5/20 0.47
RXRB P28702 4/20 0.47
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 4/20 0.44
NR4A1 P22736 2/20 0.44
NR4A3 Q92570 2/20 0.44
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6232546 0.89 GSK3B (0.47) PPARDRXRARXRBMEN1KMT2A
SCHEMBL11279704 0.88 PTGS2 (0.51) PPARDRXRARXRBNR4A2NR4A1
SCHEMBL6538975 0.87 PPARD (0.49) PPARDRXRARXRBMEN1KMT2A
SCHEMBL6231803 0.86 PPARD (0.54) PPARDRXRARXRBMEN1KMT2A
SCHEMBL6540399 0.86 PPARD (0.54) PPARDRXRARXRBMEN1KMT2A
SCHEMBL14384222 0.84 PPARD (0.49) PPARDRXRARXRBNR4A2NR4A1
SCHEMBL6539938 0.82 NR4A2 (0.69) PPARDRXRARXRBNR4A2NR4A1
SCHEMBL11280862 0.82 PPARD (0.53) PPARDRXRARXRBNR4A2NR4A1
SCHEMBL6539023 0.82 L3MBTL1 (0.48) PPARDRXRARXRBMEN1KMT2A
SCHEMBL3092563 0.81 PPARD (0.53) PPARDRXRARXRBNR4A2NR4A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011125836-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA 東レ株式会社 (JP) 2011-10-13 WO disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (2 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885RXRA 1352/4885RXRB 1507/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD PPARD 3/4885RXRA 9/4885RXRB 8/4885

“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.