SCHEMBL5114575

SCHEMBL5114575

CCCOc1cc(CCCO)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.45
GPBAR1 Q8TDU6 6/20 0.45
CYSLTR2 Q9NS75 4/20 0.42
PDE10A Q9Y233 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
TP53 P04637 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
LMNA P02545 1/20 0.37
ALOX5 P09917 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
SCHEMBL5113694 0.89 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2PDE10APTGDR2
SCHEMBL5120863 0.84 PPARG (0.40) CYSLTR1GPBAR1CYSLTR2PDE10APTGDR2
SCHEMBL5120280 0.83 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2PTGDR2MEN1
SCHEMBL5110194 0.81 CYP11B1 (0.43) CYP1A2TP53ALDH1A1LMNAHPGD
SCHEMBL5121992 0.79 PPARG (0.55) CYSLTR1GPBAR1CYSLTR2PDE10APTGDR2
SCHEMBL5106908 0.77 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2PTGDR2MEN1
SCHEMBL5111033 0.77 PPARG (0.43) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL5121178 0.76 PPARG (0.46) ALDH1A1NPSR1MAPTPPARG
SCHEMBL5112554 0.75 PTGDR2 (0.43) CYSLTR1GPBAR1CYSLTR2PTGDR2ALOX5
SCHEMBL5111910 0.74 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2MAPK1MEN1

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.