SCHEMBL5112554

SCHEMBL5112554

CCCOc1cc(COc2c(CC)cccc2CC(=O)O)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
AKR1B1 P15121 1/20 0.42
CYSLTR1 Q9Y271 12/20 0.42
GPBAR1 Q8TDU6 4/20 0.42
CYSLTR2 Q9NS75 7/20 0.39
PPARG P37231 1/20 0.37
ALOX5 P09917 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
SCHEMBL5109781 0.87 CYSLTR1 (0.42) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL5121992 0.84 PPARG (0.55) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5120378 0.80 PPARG (0.57) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5113694 0.79 CYSLTR1 (0.48) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5114575 0.75 CYSLTR1 (0.45) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5120280 0.75 CYSLTR1 (0.50) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5114268 0.74 PPARG (0.69) PTGDR2AKR1B1CYSLTR1CYSLTR2PPARG
SCHEMBL5106908 0.73 CYSLTR1 (0.46) PTGDR2AKR1B1CYSLTR1GPBAR1CYSLTR2
SCHEMBL5106509 0.72 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2PPARG
SCHEMBL5113074 0.70 PPARG (0.64) 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 PTGDR2 2631/4885AKR1B1 257/4885CYSLTR1 806/4885

“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.