SCHEMBL1735528

SCHEMBL1735528

CC(=O)OCc1nccc(OCCCCCCO)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP2 O95551 2/20 0.35
LOX P28300 1/20 0.35
AOC3 Q16853 1/20 0.35
CYP2C9 P11712 2/20 0.34
DDAH1 O94760 1/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
IDE P14735 1/20 0.34
HPGD P15428 1/20 0.34
ADRA2B P18089 1/20 0.34
TBXA2R P21731 1/20 0.34
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
NPY1R P25929 1/20 0.34
ADORA1 P30542 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL1735008 1.00 ALDH1A1 (0.36) ALDH1A1TDP2LOXAOC3CYP2C9
SCHEMBL1734068 1.00 ALDH1A1 (0.36) ALDH1A1TDP2LOXAOC3CYP2C9
SCHEMBL1734018 1.00 ALDH1A1 (0.36) ALDH1A1TDP2LOXAOC3CYP2C9
SCHEMBL1733369 1.00 ALDH1A1 (0.36) ALDH1A1TDP2LOXAOC3CYP2C9
SCHEMBL1735523 1.00 ALDH1A1 (0.36) ALDH1A1TDP2LOXAOC3CYP2C9
SCHEMBL2989663 0.90 LMNA (0.41) ALDH1A1LMNAMAPTHTR2BKMT2A
SCHEMBL2994298 0.90 LMNA (0.41) ALDH1A1LMNAMAPTHTR2BKMT2A
SCHEMBL2988743 0.90 LMNA (0.41) ALDH1A1LMNAMAPTHTR2BKMT2A
SCHEMBL2990116 0.90 LMNA (0.41) ALDH1A1LMNAMAPTHTR2BKMT2A
SCHEMBL2998988 0.90 LMNA (0.41) ALDH1A1LMNAMAPTHTR2BKMT2A

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 ALDH1A1 3172/4885TDP2 3045/4885LOX 2259/4885

“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.