SCHEMBL5113810

SCHEMBL5113810

CCCOc1cc(CCC(=O)OCC)n(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.47
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
P2RX3 P56373 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5105836 0.90 ALDH1A1 (0.47) PPARGLMNAPOLBCYP11B1CYP11B2
SCHEMBL5112614 0.88 PPARG (0.62) PPARG
SCHEMBL5111582 0.88 PPARG (0.41) PPARGALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL3216344 0.83 PPARG (0.44) PPARGALDH1A1KDM4E
SCHEMBL3212765 0.83 PPARG (0.68) PPARG
SCHEMBL5121178 0.81 PPARG (0.46) PPARGPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL3210492 0.80 PPARG (0.66) PPARGLMNA
SCHEMBL5120054 0.80 KDM4E (0.44) PPARGPOLBALDH1A1MAPTCYP4F2
SCHEMBL5120832 0.80 ALDH1A1 (0.44) PPARGLMNAPOLBALDH1A1KDM4E
SCHEMBL5120280 0.78 CYSLTR1 (0.50) PPARGLMNAALDH1A1MAPTKDM4E

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 52/4885TSHR 98/4885LMNA 3761/4885

“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.