SCHEMBL1735599

SCHEMBL1735599

Cc1c(OCCCCCCCCCCO)cc[n+]([O-])c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
CNR2 P34972 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CNR1 P21554 1/20 0.30
TLR8 Q9NR97 1/20 0.30
PNLIP P16233 1/20 0.30

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
SCHEMBL1733367 1.00 LOX (0.36) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL1734201 1.00 LOX (0.36) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL1735039 1.00 LOX (0.36) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL1734021 1.00 LOX (0.36) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL1733371 1.00 LOX (0.36) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL6865791 0.98 LOX (0.37) LOXAOC3ALDH1A1HSD17B10LMNA
SCHEMBL8081110 0.94 TUBB1 (0.33) LOXAOC3ALDH1A1
SCHEMBL6839095 0.89 IDO1 (0.34) LOXAOC3ALDH1A1TSHR
SCHEMBL2984245 0.86 MEN1 (0.38) LMNAMAPK1TLR8
SCHEMBL2984114 0.86 MEN1 (0.38) LMNAMAPK1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003130-B1 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY ARIGEN PHARMACEUTICALS INC (JP) 2011-11-16 EP disclosed
WO-2011132683-A1 BIS-CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 出光興産株式会社 (JP) 2011-10-27 WO disclosed
US-20090143438-A1 Novel Pyridine Derivative Having Anti-Helicobacter Pylori Activity ARIGEN PHARMACEUTICALS, INC. (JP) 2009-06-04 US disclosed
EP-2003130-A9 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY aRigen Pharmaceuticals, Inc. (JP) 2009-04-15 EP disclosed
EP-2003130-A2 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY aRigen Pharmaceuticals, Inc. (JP) 2008-12-17 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-20090143438-A1 Novel Pyridine Derivative Having Anti-Helicobacter Pylori Activity MALT1, BCL6, PGC LOX 2259/4885AOC3 3012/4885ALDH1A1 3172/4885

“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.