SCHEMBL4686223

SCHEMBL4686223

COCOc1cc(/C=C/CO)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.56
PTGS1 P23219 2/20 0.49
NFE2L2 Q16236 1/20 0.48
CYP1A1 P04798 4/20 0.47
PTGS2 P35354 1/20 0.47
MMP9 P14780 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 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
SCHEMBL4686225 1.00 TUBB1 (0.56) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL1301189 0.87 CYP1A1 (0.61) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL30625282 0.87 CYP1A1 (0.61) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL2458079 0.87 CYP1A1 (0.61) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL1301186 0.87 CYP1A1 (0.61) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL9763361 0.82 FDPS (0.48) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL9763371 0.82 FDPS (0.48) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL18913776 0.82 TUBB1 (0.63) TUBB1PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3395560 0.81 CYP1A1 (0.60) TUBB1PTGS1NFE2L2CYP1A1PTGS2
SCHEMBL18913773 0.80 APP (0.59) MMP9KDM4EALDH1A1HPGDPDCD1

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
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
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-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US 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 TUBB1 1963/4885PTGS1 1418/4885NFE2L2 1885/4885

“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.