SCHEMBL4686100

SCHEMBL4686100

COCOc1cccc(C=CC(=O)O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.59
KDM4E B2RXH2 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
GAA P10253 1/20 0.50
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
ALOX5 P09917 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
BACE1 P56817 1/20 0.47
MAOB P27338 1/20 0.47
PTGER1 P34995 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL4686097 1.00 NFE2L2 (0.59) NFE2L2KDM4ETRPM8GAAPTGER4
SCHEMBL4653615 0.93 KDM4E (0.51) NFE2L2KDM4ETRPM8GAAPTGER4
SCHEMBL4653617 0.93 KDM4E (0.51) NFE2L2KDM4ETRPM8GAAPTGER4
SCHEMBL3340127 0.85 PTGER3 (0.62) NFE2L2KDM4EGAAPTGER4PTGER3
SCHEMBL2292426 0.85 PTGER3 (0.62) NFE2L2KDM4EGAAPTGER4PTGER3
SCHEMBL6776487 0.85 NFE2L2 (0.79) NFE2L2KDM4ETRPM8GAAALOX5
SCHEMBL1056670 0.85 NFE2L2 (0.79) NFE2L2KDM4ETRPM8GAAALOX5
SCHEMBL457033 0.85 NFE2L2 (0.79) NFE2L2KDM4ETRPM8GAAALOX5
SCHEMBL14501345 0.84 NFE2L2 (0.54) NFE2L2KDM4ETRPM8ALOX5CYP1A1
SCHEMBL14143273 0.84 NFE2L2 (0.54) NFE2L2KDM4ETRPM8ALOX5CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 NFE2L2 1885/4885KDM4E 847/4885TRPM8 4414/4885

“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.