SCHEMBL5120280

SCHEMBL5120280

CCCOc1cc(CCC(=O)OCC)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.50
CYSLTR2 Q9NS75 5/20 0.50
GPBAR1 Q8TDU6 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
AKR1B1 P15121 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 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
SCHEMBL5109080 0.87 CYSLTR2 (0.46) CYSLTR1CYSLTR2PTGDR2MEN1PRNP
SCHEMBL5114575 0.83 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1PTGDR2MEN1
SCHEMBL5105836 0.83 ALDH1A1 (0.47) MAPTPPARGALDH1A1LMNA
SCHEMBL5113694 0.83 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1PTGDR2MEN1
SCHEMBL5120054 0.79 KDM4E (0.44) MEN1KMT2AMAPTPPARGKDM4E
SCHEMBL5113810 0.78 PPARG (0.47) MAPTPPARGKDM4EALDH1A1LMNA
SCHEMBL5109743 0.77 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1PPARGPPARD
SCHEMBL5106908 0.77 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1PTGDR2MEN1
SCHEMBL5112554 0.75 PTGDR2 (0.43) CYSLTR1CYSLTR2GPBAR1PTGDR2PPARG
SCHEMBL5120832 0.75 ALDH1A1 (0.44) PTGDR2PPARGKDM4EALDH1A1LMNA

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 806/4885CYSLTR2 1286/4885GPBAR1 252/4885

“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.