SCHEMBL5114784

SCHEMBL5114784

Cc1ccccc1Cn1nc(OC(C)C)cc1CCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.47
TSHR P16473 2/20 0.37
P2RX7 Q99572 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GBA1 P04062 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5118890 0.87 PPARG (0.57) PPARGGAA
SCHEMBL5113441 0.86 PPARG (0.54) PPARGALDH1A1
SCHEMBL5120100 0.84 PPARG (0.50) PPARGPOLB
SCHEMBL5106933 0.84 PPARG (0.52) PPARG
SCHEMBL5111013 0.83 PPARG (0.53) PPARG
SCHEMBL5113082 0.81 PPARG (0.53) PPARGTSHRALDH1A1
SCHEMBL5112024 0.81 PPARG (0.42) PPARG
SCHEMBL5110607 0.80 PPARG (0.74) PPARG
SCHEMBL5106857 0.78 PPARG (0.59) PPARG
SCHEMBL5113100 0.77 PPARG (0.58) 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 52/4885TSHR 98/4885P2RX7 730/4885

“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.