SCHEMBL4258765

SCHEMBL4258765

O=C(O)CCC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
CYP1A2 P05177 2/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE4B Q07343 1/20 0.50
USP5 P45974 1/20 0.49
GAA P10253 1/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4142311 0.95 FFAR1 (0.60) NR4A2KMT2AHRH3CYP1A2FFAR1
SCHEMBL2743484 0.90 PDE4B (0.64) HRH3FFAR1RAB9APDE4BMMP2
SCHEMBL31322194 0.83 HRH3 (0.49) HRH3RAB9AMMP2MMP9MMP8
SCHEMBL18038016 0.83 HRH3 (0.55) HRH3SMN1; SMN2HPGDMMP2MMP9
SCHEMBL2092409 0.83 HRH3 (0.49) HRH3RAB9AMMP2MMP9MMP8
SCHEMBL31322196 0.83 HRH3 (0.49) HRH3RAB9AMMP2MMP9MMP8
SCHEMBL7202267 0.82 CYP1A2 (0.55) NR4A2KMT2AHRH3CYP1A2FFAR1
SCHEMBL7190697 0.81 FFAR4 (0.48) KMT2AHRH3CYP1A2FFAR1LMNA
SCHEMBL16563404 0.80 MAPT (0.53) HRH3RAB9APDE4BMMP2MMP9
SCHEMBL28739818 0.80 HTR7 (0.60) HRH3MMP2MMP9MMP8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-20040147764-A1 Method for production of delta 1-pyrrolines BAYER CROPSCIENCE AG (DE) 2004-07-29 US disclosed
EP-1379500-A2 METHOD FOR THE PRODUCTION OF $g(D)?1 PYRROLINES Bayer CropScience AG (DE) 2004-01-14 EP disclosed
WO-2002081442-A2 METHOD FOR THE PRODUCTION OF Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO 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 (2 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 NR4A2 103/4885KMT2A 410/4885HRH3 598/4885
US-20040147764-A1 Method for production of delta 1-pyrrolines AR, NR5A1, SRD5A1 NR4A2 1119/4885KMT2A 3262/4885HRH3 762/4885

“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.