SCHEMBL5113694

SCHEMBL5113694

CCCOc1cc(CO)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.48
GPBAR1 Q8TDU6 6/20 0.48
CYSLTR2 Q9NS75 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPT P10636 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5114575 0.89 CYSLTR1 (0.45) CYSLTR1GPBAR1CYSLTR2PTGDR2MEN1
SCHEMBL5120280 0.83 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2PTGDR2MEN1
SCHEMBL5105338 0.83 CYP1A2 (0.40) CYSLTR1GPBAR1CYSLTR2PTGDR2TLR8
SCHEMBL5110602 0.82 GPBAR1 (0.48) CYSLTR1GPBAR1CYSLTR2MEN1KMT2A
SCHEMBL5106908 0.81 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2PTGDR2MEN1
SCHEMBL5109059 0.79 POLB (0.41) MAPTMAPK1TP53CYP1A2ALDH1A1
SCHEMBL5112554 0.79 PTGDR2 (0.43) CYSLTR1GPBAR1CYSLTR2PTGDR2AKR1B1
SCHEMBL5121992 0.75 PPARG (0.55) CYSLTR1GPBAR1CYSLTR2PTGDR2AKR1B1
SCHEMBL5120863 0.73 PPARG (0.40) CYSLTR1GPBAR1CYSLTR2PTGDR2AKR1B1
SCHEMBL30060467 0.72 MEN1 (0.61) CYSLTR1GPBAR1CYSLTR2MEN1KMT2A

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 CYSLTR1 806/4885GPBAR1 252/4885CYSLTR2 1286/4885

“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.