SCHEMBL3682822

SCHEMBL3682822

CCCc1cc(OC(C)(C)C(=O)OCC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.56
TSHR P16473 2/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
PPARG P37231 5/20 0.54
FBP1 P09467 9/20 0.46
PPARD Q03181 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL4614967 0.83 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL6036068 0.82 PPARA (0.60) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL198547 0.81 PPARA (0.58) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL6035075 0.80 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3691183 0.79 PPARA (0.50) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL18826237 0.77 ELANE (0.49)
SCHEMBL6036228 0.77 PPARA (0.57) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL498682 0.77 CYP3A4 (0.57) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL199420 0.76 PPARA (0.73) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL5111441 0.76 PPARA (0.51) PPARATSHRABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
US-20050020652-A1 Peroxisome proliferator activated receptor agonists ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1453811-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-09-08 EP disclosed
WO-2003048130-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-06-12 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG PPARA 2/4885TSHR 1431/4885ABCB11 824/4885
US-20050020652-A1 Peroxisome proliferator activated receptor agonists PPARA, PPARD, PPARG PPARA 1/4885TSHR 255/4885ABCB11 2329/4885

“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.