SCHEMBL5361328

SCHEMBL5361328

CCOC(=O)[C@H](Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
PPARG P37231 12/20 0.45
PPARD Q03181 8/20 0.40
FBP1 P09467 1/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL5352421 0.90 PPARA (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4451910 0.87 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5365685 0.86 PPARA (0.55) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5360572 0.81 LMNA (0.46) PPARAPPARGPPARD
SCHEMBL5360578 0.81 LMNA (0.46) PPARAPPARGPPARD
SCHEMBL5360570 0.81 LMNA (0.46) PPARAPPARGPPARD
SCHEMBL6150601 0.78 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL5360137 0.76 PPARA (0.55) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2554435 0.75 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL14397663 0.75 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR

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
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 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 (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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARA 2/4885ABCB11 1862/4885CYP1A2 883/4885

“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.