SCHEMBL5120044

SCHEMBL5120044

CCOc1nn(Cc2ccc(Cl)cc2Cl)cc1CCCOc1nn(-c2ccccc2)cc1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
KDM4E B2RXH2 3/20 0.39
AGTR1 P30556 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 2/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER1 P34995 2/20 0.36
PIK3CG P48736 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 2/20 0.36
AURKA O14965 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL5120333 0.86 PPARG (0.47) PPARGP2RX7
SCHEMBL5114674 0.82 PPARG (0.54) PPARG
SCHEMBL5107205 0.78 LMNA (0.44) PPARGKDM4EKMT2AALDH1A1MAPT
SCHEMBL5108910 0.78 PDE4D (0.42) PPARGKDM4EKMT2AALDH1A1MAPT
SCHEMBL5107645 0.73 PPARG (0.51) PPARGP2RX7ALDH1A1SMN1; SMN2
SCHEMBL6035915 0.70 PPARG (0.40) PPARGMCL1ALDH1A1
SCHEMBL6035705 0.69 PPARA (0.45) PPARG
SCHEMBL6034853 0.69 PPARD (0.42) PPARG
SCHEMBL5112484 0.69 PPARG (0.54) PPARGPTGER1
SCHEMBL5373798 0.69 FFAR1 (0.54)

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 52/4885KDM4E 1854/4885AGTR1 227/4885

“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.