SCHEMBL5380790

SCHEMBL5380790

COc1cc(CC(OC)C(=O)O)ccc1OCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.84
PPARA Q07869 11/20 0.84
PPARD Q03181 8/20 0.84
MMP1 P03956 5/20 0.53
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
MMP13 P45452 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL14366504 1.00 PPARG (0.84) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL14366513 0.93 PPARA (0.82) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5379636 0.93 PPARA (0.82) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5383559 0.91 PPARD (1.00) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5375223 0.91 PPARG (0.84) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5377447 0.91 PPARD (1.00) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5375212 0.91 PPARG (0.84) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL14366511 0.90 PPARG (0.82) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL5381577 0.90 PPARG (0.82) PPARGPPARAPPARDMMP1LTB4R
SCHEMBL14366508 0.90 PPARG (0.78) PPARGPPARAPPARDMMP1LTB4R

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
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARA 3/4885PPARD 7/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARA 3/4885PPARD 4/4885

“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.