SCHEMBL4679564

SCHEMBL4679564

CC(C)(C)OC(=O)/C=C/c1cccc(CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.50
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
AKR1B10 O60218 4/20 0.46
AKR1B1 P15121 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TTR P02766 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL4679570 1.00 NR1H4 (0.50) NR1H4LTB4RLTB4R2AKR1B10AKR1B1
SCHEMBL7910941 0.86 NR1H4 (0.49) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL18572547 0.86 NR1H4 (0.49) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL7910940 0.86 NR1H4 (0.49) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL17500232 0.85 NR1H4 (0.51) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL27645996 0.85 NR1H4 (0.48) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL17500223 0.85 NR1H4 (0.51) NR1H4AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL2810114 0.85 TTR (0.51) NR1H4LTB4RLTB4R2AKR1B10AKR1B1
SCHEMBL30967860 0.85 TTR (0.51) NR1H4LTB4RLTB4R2AKR1B10AKR1B1
SCHEMBL2810112 0.85 TTR (0.51) NR1H4LTB4RLTB4R2AKR1B10AKR1B1

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 NR1H4 3165/4885LTB4R 4733/4885LTB4R2 4755/4885

“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.