SCHEMBL5113441

SCHEMBL5113441

COc1ccccc1Cn1nc(OC(C)C)cc1CCCO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.54
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35

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
SCHEMBL5114784 0.86 PPARG (0.47) PPARGALDH1A1
SCHEMBL5118890 0.85 PPARG (0.57) PPARGMEN1KMT2ASLC16A3SLC16A1
SCHEMBL5111033 0.83 PPARG (0.43) PPARGMEN1PKMKMT2ANPSR1
SCHEMBL5120100 0.82 PPARG (0.50) PPARGMEN1KMT2A
SCHEMBL5120118 0.81 PPARG (0.51) PPARGMEN1PKMKMT2ASLC16A3
SCHEMBL5114920 0.81 PPARG (0.60) PPARG
SCHEMBL5111013 0.81 PPARG (0.53) PPARGSLC16A3SLC16A1MCTS1
SCHEMBL5119547 0.81 PPARG (0.81) PPARGMEN1PKMKMT2ASLC16A3
SCHEMBL5112518 0.80 PPARG (0.48) PPARG
SCHEMBL5112500 0.78 PPARG (0.56) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885MEN1 4517/4885PKM 3398/4885

“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.