SCHEMBL4133422

SCHEMBL4133422

OCC(O)C[n+]1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 5/20 0.35
ACHE P22303 4/20 0.35

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
Hydrochloric Acid SCHEMBL9013751 0.98 CHRNA7 (0.47) CHRNA7CYP1A2CYP2D6ALDH1A1LMNA
Sulfuric Acid SCHEMBL11346791 0.89 CHRNA7 (0.42) CHRNA7CYP1A2CYP2D6ALDH1A1LMNA
Sulfuric Acid SCHEMBL11331738 0.88 CYP1A2 (0.42) CHRNA7CYP1A2CYP2D6
Sulfuric Acid SCHEMBL11383711 0.88 CHRNA7 (0.41) CHRNA7CYP1A2CYP2D6
SCHEMBL16673968 0.87 CHRNA7 (0.53) CHRNA7CYP1A2CYP2D6BCHEACHE
Sulfuric Acid SCHEMBL11331697 0.86 CYP1A2 (0.41) CHRNA7CYP1A2CYP2D6
Sulfuric Acid SCHEMBL11380811 0.86 CYP1A2 (0.41) CHRNA7CYP1A2CYP2D6
SCHEMBL8492786 0.78 CHRNA7 (0.47) CHRNA7CYP1A2CYP2D6LMNABCHE
SCHEMBL19942443 0.78 CHRNA7 (0.47) CHRNA7CYP1A2CYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL32681176 0.76 CHRNA7 (0.46) CHRNA7CYP1A2CYP2D6LMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008447-B1 N-(2,3-DIHYDROXYPROPYL)-PYRIDINIUM SULFATES, THEIR PREPARATION AND GALVANIC-ACID NICKEL BATHS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1981-10-21 EP claimed
US-20180217551-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2018-08-02 US disclosed
US-20180217551-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2018-08-02 US disclosed
US-20180217551-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2018-08-02 US disclosed
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed
US-20150331347-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-11-19 US disclosed
US-20150331347-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-11-19 US disclosed
US-20150331347-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-11-19 US disclosed
US-20090137045-A1 Pyridinium Cationic Lipids as Gene Transfer Agents BALABAN ALEXANDRU T 2009-05-28 US disclosed
US-7456197-B2 Pyridinium cationic lipids as gene transfer agents THE TEXAS A&M UNIVERSITY SYSTEM (US) 2008-11-25 US disclosed
US-20050196863-A1 Pyridinium cationic lipids as gene transfer agents TEXAS A & M UNIVERSITY, THE 2005-09-08 US disclosed
EP-0008447-B1 N-(2,3-DIHYDROXYPROPYL)-PYRIDINIUM SULFATES, THEIR PREPARATION AND GALVANIC-ACID NICKEL BATHS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1981-10-21 EP disclosed
US-4270987-A AS LEVELING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-06-02 US disclosed
US-4270987-A AS LEVELING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-06-02 US disclosed
US-4270987-A AS LEVELING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-06-02 US disclosed
EP-0008447-A1 N-(2,3-dihydroxypropyl)-pyridinium sulfates, their preparation and galvanic-acid nickel baths containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-03-05 EP disclosed
EP-0008447-A1 N-(2,3-dihydroxypropyl)-pyridinium sulfates, their preparation and galvanic-acid nickel baths containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-03-05 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 (2 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-20050196863-A1 Pyridinium cationic lipids as gene transfer agents PTDSS2, PLIN5, PTDSS1 CHRNA7 2188/4885CYP1A2 2838/4885CYP2D6 3647/4885
US-20090137045-A1 Pyridinium Cationic Lipids as Gene Transfer Agents PTDSS2, PLIN5, PTDSS1 CHRNA7 2188/4885CYP1A2 2838/4885CYP2D6 3647/4885

“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.