SCHEMBL5120863

SCHEMBL5120863

CC(C)Oc1cc(CCCO)n(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.38
AKR1B1 P15121 1/20 0.37
CYSLTR1 Q9Y271 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL5105338 0.89 CYP1A2 (0.40) PPARGPTGDR2CYP1A2AKR1B1CYSLTR1
SCHEMBL5114575 0.84 CYSLTR1 (0.45) PPARGPTGDR2CYP1A2AKR1B1CYSLTR1
SCHEMBL5109080 0.82 CYSLTR2 (0.46) PPARGPTGDR2CYP1A2CYSLTR1CYSLTR2
SCHEMBL5112024 0.81 PPARG (0.42) PPARG
SCHEMBL5120100 0.81 PPARG (0.50) PPARGCYP1A2
SCHEMBL5114784 0.78 PPARG (0.47) PPARG
SCHEMBL5114268 0.77 PPARG (0.69) PPARGPTGDR2CYP1A2AKR1B1CYSLTR1
SCHEMBL5118890 0.77 PPARG (0.57) PPARG
SCHEMBL5113441 0.76 PPARG (0.54) PPARG
SCHEMBL5113246 0.75 SMN1; SMN2 (0.44) PTGDR2CYP1A2AKR1B1CYSLTR1GPBAR1

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 2631/4885CYP1A2 655/4885

“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.