SCHEMBL5374953

SCHEMBL5374953

COc1cc(CC(OC)C(=O)O)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
PPARA Q07869 3/20 0.53
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
DRD2 P14416 1/20 0.53
MMP1 P03956 14/20 0.47
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
TPH1 P17752 1/20 0.40

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
SCHEMBL14366415 1.00 LDHA (0.53) LDHAPPARAPPARGPPARDDRD2
SCHEMBL14366416 0.89 DRD2 (0.54) LDHAPPARAPPARGPPARDDRD2
SCHEMBL23761311 0.84 LDHA (0.73) LDHAPPARAPPARGPPARDMMP1
SCHEMBL5385209 0.81 PPARG (0.52) LDHAPPARAPPARGPPARD
SCHEMBL21359165 0.81 DRD2 (0.64) LDHADRD2
SCHEMBL8520391 0.80 DRD2 (0.57) LDHAPPARAPPARDDRD2
SCHEMBL1877195 0.79 NR1I2 (0.48) LDHAPPARGDRD2TPH1
SCHEMBL12972253 0.79 NR1I2 (0.48) LDHAPPARGDRD2TPH1
SCHEMBL3119147 0.77 DRD2 (0.56) LDHAPPARAPPARGPPARDDRD2
SCHEMBL21882882 0.77 DRD2 (0.66) DRD2

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 LDHA 4030/4885PPARA 3/4885PPARG 2/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA LDHA 3803/4885PPARA 3/4885PPARG 1/4885

“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.