SCHEMBL3628979

SCHEMBL3628979

COC(=O)c1ccc(OC(c2ccccc2)c2ccccc2)c(CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
HIF1A Q16665 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASR P41180 2/20 0.40
SLC7A5 Q01650 1/20 0.40
PKM P14618 1/20 0.39
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
ELANE P08246 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
SCHEMBL6566599 0.77 FPR2 (0.53) ALDH1A1GAA
SCHEMBL3633062 0.76 CHRM2 (0.41) PPARAPPARG
SCHEMBL6566853 0.74 CASR (0.53) HIF1ATSHRALDH1A1GAACASR
SCHEMBL2314440 0.74 GAA (0.44) PPARAHIF1ATSHRALDH1A1GAA
SCHEMBL2315368 0.74 CA1 (0.59) HIF1AALDH1A1GAAL3MBTL1PKM
SCHEMBL7337968 0.74 EDNRA (0.50) TSHRALDH1A1
SCHEMBL6566619 0.73 KMT2A (0.51) ALDH1A1
SCHEMBL8251185 0.73 MAPT (0.54) HIF1ATSHRALDH1A1GAAPKM
SCHEMBL17835564 0.72 LTB4R (0.57) PPARATSHRALDH1A1GAAL3MBTL1
SCHEMBL2592533 0.72 ALDH1A1 (0.48) HIF1ATSHRALDH1A1GAAPKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 PPARA 32/4885PPARG 35/4885HIF1A 1665/4885

“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.