SCHEMBL4885618

SCHEMBL4885618

COc1ccc(-c2ccc(-c3cc(C)n(CCOc4ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c4)n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.57
PPARA Q07869 14/20 0.57
GAA P10253 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GABRA1 P14867 1/20 0.38
ALOX15 P16050 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL4894333 0.94 PPARG (0.65) PPARGPPARAGABRPGABRDGABRA1
SCHEMBL4893585 0.94 PPARG (0.57) PPARGPPARAGABRA1GABRB2CSF3R
SCHEMBL4891066 0.93 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL14111235 0.93 PPARG (0.57) PPARGPPARAPPARDCSF3R
SCHEMBL4887727 0.93 PPARG (0.64) PPARGPPARAGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL4897607 0.92 PPARG (0.56) PPARGPPARAPPARDCSF3R
SCHEMBL4889108 0.92 PPARG (0.56) PPARGPPARAPPARDCSF3R
SCHEMBL14111237 0.91 PPARG (0.46) PPARGPPARAGAAGABRPGABRD
SCHEMBL14111236 0.90 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4897097 0.89 PPARG (0.57) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885GAA 752/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885GAA 752/4885

“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.