SCHEMBL5121992

SCHEMBL5121992

CCCOc1cc(CCCOc2c(CC(=O)O)cccc2OC)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.40
AKR1B1 P15121 1/20 0.39
TP53 P04637 2/20 0.39
MDM2 Q00987 2/20 0.39
CYSLTR1 Q9Y271 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PDE10A Q9Y233 2/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CXCR6 O00574 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 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
SCHEMBL5114268 0.90 PPARG (0.69) PPARGPTGDR2AKR1B1CYSLTR1CYSLTR2
SCHEMBL5113074 0.88 PPARG (0.64) PPARGTP53MDM2
SCHEMBL5105537 0.87 PPARG (0.64) PPARGTP53MDM2
SCHEMBL5112554 0.84 PTGDR2 (0.43) PPARGPTGDR2AKR1B1CYSLTR1GPBAR1
SCHEMBL5119469 0.83 PPARG (0.68) PPARGTP53MDM2
SCHEMBL5106602 0.82 PPARG (0.61) PPARGTP53MDM2
SCHEMBL5120857 0.81 PPARG (0.50) PPARGCYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL5120378 0.81 PPARG (0.57) PPARGPTGDR2AKR1B1CYSLTR1GPBAR1
SCHEMBL5108822 0.81 PPARG (0.81) PPARG
SCHEMBL5114403 0.81 PPARG (0.58) PPARGPTGDR2TP53MDM2

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 52/4885PTGDR2 2631/4885AKR1B1 257/4885

“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.