SCHEMBL4428685

SCHEMBL4428685

CCOC(=O)C(C)(C)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.61
PPARA Q07869 4/20 0.61
ABCB11 O95342 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
HTR2A P28223 1/20 0.61
PMP22 Q01453 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
PPARD Q03181 1/20 0.57
ALDH1A1 P00352 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
MAOB P27338 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51

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
SCHEMBL1747412 0.89 FFAR1 (0.55) PPARGPPARAABCB11CYP1A2CYP3A4
SCHEMBL1746488 0.88 PPARG (0.61) PPARGPPARAABCB11CYP1A2CYP3A4
SCHEMBL5660644 0.86 OPRK1 (0.60) PPARGPPARAL3MBTL1LMNAPPARD
SCHEMBL21991804 0.86 PPARA (0.79) PPARGPPARAABCB11CYP1A2CYP3A4
SCHEMBL4179965 0.86 PPARG (0.64) PPARGPPARACYP1A2LMNAPPARD
SCHEMBL14176244 0.85 LMNA (0.54) PPARGPPARAL3MBTL1LMNAPPARD
SCHEMBL2824491 0.85 PPARA (0.71) PPARGPPARAABCB11CYP1A2CYP3A4
SCHEMBL198509 0.85 PPARA (0.50) PPARGPPARAABCB11CYP1A2CYP3A4
SCHEMBL6081677 0.84 PPARG (0.63) PPARGPPARACYP1A2LMNAPPARD
SCHEMBL21991824 0.84 MAOB (0.59) PPARGPPARAABCB11CYP1A2CYP3A4

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-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 US 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT PPARG 3036/4885PPARA 4079/4885ABCB11 1098/4885
US-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885ABCB11 3077/4885

“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.