SCHEMBL1047162

SCHEMBL1047162

CCCCCCCOc1c([N+](=O)[O-])c(=O)oc2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 4/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ERAP1 Q9NZ08 1/20 0.44
PPARG P37231 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
PGAM1 P18669 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41
ALDH2 P05091 1/20 0.41
XDH P47989 1/20 0.40
MAOB P27338 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL8489977 0.85 HSD17B3 (0.53) HSD17B3MAPTGAAALDH1A1ERAP1
SCHEMBL8490526 0.83 HSD17B3 (0.52) HSD17B3GAAALDH1A1ERAP1PPARG
SCHEMBL8489446 0.81 HSD17B3 (0.50) HSD17B3MAPTGAAALDH1A1ERAP1
SCHEMBL8491511 0.81 HSD17B3 (0.50) HSD17B3MAPTGAAALDH1A1ERAP1
SCHEMBL6277138 0.81 MAP1LC3B (0.53) HSD17B3GAAALDH1A1ERAP1PPARG
SCHEMBL8489872 0.81 MAP1LC3B (0.53) HSD17B3GAAALDH1A1ERAP1PPARG
SCHEMBL6277201 0.81 MAP1LC3B (0.53) HSD17B3GAAALDH1A1ERAP1PPARG
SCHEMBL8488462 0.81 MAP1LC3B (0.53) HSD17B3GAAALDH1A1ERAP1PPARG
SCHEMBL8488403 0.80 MAP1LC3B (0.53) HSD17B3MAPTGAAALDH1A1ERAP1
SCHEMBL8494490 0.79 HSD17B3 (0.47) HSD17B3GAAALDH1A1ERAP1PPARG

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-1754480-B1 Compositions comprising phospholipase c inhibitors and methods for enhancing paracellular permeability across epithelial and endothelial barriers UNIV NORTH CAROLINA (US) 2011-01-26 EP disclosed
US-7713949-B2 Compositions and methods for enhancing paracellular permeability across epithelial and endothelial barriers THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-11 US disclosed
EP-1754480-A2 Compositions comprising phospholipase c inhibitors and methods for enhancing paracellular permeability across epithelial and endothelial barriers UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-02-21 EP disclosed
EP-1379235-B1 COMPOSITIONS AND METHODS FOR ENHANCING PARACELLULAR PERMEABILITY ACROSS EPITHELIAL AND ENDOTHELIAL BARRIERS UNIV NORTH CAROLINA (US) 2006-12-20 EP disclosed
EP-1379235-A2 COMPOSITIONS AND METHODS FOR ENHANCING PARACELLULAR PERMEABILITY ACROSS EPITHELIAL AND ENDOTHELIAL BARRIERS University of North Carolina at Chapel Hill et al. (US) 2004-01-14 EP disclosed
US-20020115641-A1 Compositions and methods for enhancing paracellular permeability across epithelial and endothelial barriers THAKKER DHIREN R (US) 2002-08-22 US disclosed
WO-2002030408-A2 COMPOSITIONS COMPRISING PHOSPHOLIPASE C INHIBITORS AND METHODS FOR ENHANCING PARACELLULAR PERMEABILITY ACROSS EPITHELIAL AND ENDOTHELIAL BARRIERS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-04-18 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 (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-20020115641-A1 Compositions and methods for enhancing paracellular permeability across epithelial and endothelial barriers LIPG, FABP2, PLA2G2A HSD17B3 1851/4885MAPT 4428/4885GAA 971/4885

“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.