SCHEMBL5111750

SCHEMBL5111750

CCOC(=O)CCc1ccc(OC(C)C)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
GAA P10253 3/20 0.42
PTGER1 P34995 3/20 0.42
HDAC8 Q9BY41 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
POLB P06746 2/20 0.41
SLC26A4 O43511 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3221332 0.87 PPARG (0.52) NR4A2PTGER1HDAC8FABP3FABP4
SCHEMBL5112200 0.86 NPC1 (0.45) NR4A2GAAPTGER1HDAC8FABP3
SCHEMBL5113052 0.82 PPARG (0.54) LMNAL3MBTL1PPARG
SCHEMBL3210357 0.81 LMNA (0.47) NR4A2GAAPTGER1HDAC8FABP3
SCHEMBL3212783 0.81 NR4A2 (0.45) NR4A2GAAHDAC8FABP3FABP4
SCHEMBL901696 0.79 CYP4F2 (0.53) GAAPOLBLMNAALDH1A1KDM4E
SCHEMBL3219179 0.78 PPARG (0.64) PPARG
SCHEMBL5118976 0.78 PPARG (0.44) PPARGHTR2A
SCHEMBL3210297 0.77 CYP4F2 (0.51) POLB
SCHEMBL2351684 0.76 S1PR1 (0.56) GAAHDAC8POLBHTTLMNA

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 NR4A2 81/4885GAA 2633/4885PTGER1 2697/4885

“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.