SCHEMBL5113074

SCHEMBL5113074

CCCOc1cc(CCCOc2c(CC(=O)O)cccc2OC)n(Cc2ccccc2OC)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.64
TP53 P04637 3/20 0.43
MDM2 Q00987 3/20 0.43
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
PTGER1 P34995 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE5A O76074 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
SCHEMBL5105537 0.94 PPARG (0.64) PPARGTP53MDM2SCN9APTGER1
SCHEMBL5106602 0.90 PPARG (0.61) PPARGTP53MDM2MEN1KMT2A
SCHEMBL5119469 0.90 PPARG (0.68) PPARGTP53MDM2SCN9A
SCHEMBL5108822 0.89 PPARG (0.81) PPARGPTGER1
SCHEMBL5119547 0.89 PPARG (0.81) PPARGTP53MDM2MEN1PKM
SCHEMBL5121992 0.88 PPARG (0.55) PPARGTP53MDM2
SCHEMBL5114403 0.87 PPARG (0.58) PPARGTP53MDM2
SCHEMBL5109320 0.86 PPARG (0.81) PPARGPTGER1
SCHEMBL5113215 0.83 PPARG (0.83) PPARGPTGER1
SCHEMBL5112360 0.83 PPARG (0.77) PPARGTP53MDM2SCN9APTGER1

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 52/4885TP53 4637/4885MDM2 3883/4885

“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.