SCHEMBL3286903

SCHEMBL3286903

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.63
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
PPARG P37231 7/20 0.58
FBP1 P09467 3/20 0.50
CYP4F2 P78329 5/20 0.48
CYP4A11 Q02928 5/20 0.48
OPRK1 P41145 1/20 0.46

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
SCHEMBL3286612 0.96 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.90 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3692605 0.86 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5663159 0.86 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686839 0.86 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13903173 0.85 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4111625 0.85 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13792687 0.84 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL22070642 0.84 PPARA (0.82) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14290524 0.84 PPARA (0.56) 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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 PPARA 3384/4885ABCB11 528/4885CYP1A2 424/4885
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 PPARA 251/4885ABCB11 90/4885CYP1A2 1662/4885

“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.