SCHEMBL4614967

SCHEMBL4614967

CCOC(=O)C(C)(C)Oc1ccc(O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.61
CYP3A4 P08684 2/20 0.61
ABCB11 O95342 1/20 0.61
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.61
HTR2A P28223 1/20 0.61
PMP22 Q01453 1/20 0.61
PPARG P37231 4/20 0.52
FBP1 P09467 9/20 0.50
ESR1 P03372 2/20 0.41
AR P10275 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
OPRK1 P41145 1/20 0.40
HPGD P15428 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
SCHEMBL6035075 0.88 PPARA (0.61) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL198547 0.85 PPARA (0.58) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL13774930 0.84 CYP3A4 (0.42) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL6036068 0.84 PPARA (0.60) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL3682822 0.83 PPARA (0.56) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL498682 0.81 CYP3A4 (0.57) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL6036228 0.81 PPARA (0.57) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL199420 0.81 PPARA (0.73) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL13744817 0.81 PPARA (0.68) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL5969669 0.80 PPARA (0.56) PPARACYP3A4ABCB11CYP1A2TSHR

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-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG PPARA 2/4885CYP3A4 248/4885ABCB11 3077/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARA 2/4885CYP3A4 1834/4885ABCB11 692/4885

“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.