SCHEMBL6859100

SCHEMBL6859100

CC1CCCCN2CCCN=C12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.47
NOS1 P29475 5/20 0.47
NOS2 P35228 5/20 0.47
INMT O95050 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM3 P20309 4/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL20686772 0.98 NOS3 (0.45) NOS3NOS1NOS2INMTUSP2
SCHEMBL6860421 0.94 NOS3 (0.48) NOS3NOS1NOS2INMTUSP2
SCHEMBL6860467 0.89 NOS3 (0.43) NOS3NOS1NOS2INMTUSP2
SCHEMBL809360 0.79 INMT (0.37) NOS3NOS1NOS2INMTUSP2
SCHEMBL810067 0.78 INMT (0.39) INMTUSP2
SCHEMBL809575 0.78 INMT (0.39) NOS3NOS1NOS2INMTUSP2
SCHEMBL15437769 0.77 NOS1 (0.53) NOS3NOS1NOS2INMTUSP2
SCHEMBL20686776 0.77 INMT (0.36) NOS3NOS1NOS2INMTUSP2
SCHEMBL22929104 0.76 INMT (0.38) NOS3NOS1NOS2INMTUSP2
SCHEMBL1741681 0.73 INMT (0.36) NOS3NOS1NOS2INMTUSP2

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
US-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method JSR CORPORATION (JP) 2022-07-12 US disclosed
US-20210226142-A1 UV CROSSLINKING OF PVDF-BASED POLYMERS FOR GATE DIELECTRIC INSULATORS OF ORGANIC THIN-FILM TRANSISTORS CORNING INCORPORATED 2021-07-22 US disclosed
US-20210135109-A1 ACCELERATED THERMAL CROSSLINKING OF PVDF-HFP VIA ADDITION OF ORGANIC BASES, AND THE USAGE OF CROSSLINKED PVDF-HFP AS GATE DIELECTRIC MATERIAL FOR OTFT DEVICES CORNING INCORPORATED 2021-05-06 US disclosed
US-10906908-B2 Ionic liquid, lubricating agent, and magnetic recording medium DEXERIALS CORPORATION (JP) 2021-02-02 US disclosed
US-20200216773-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium DEXERIALS CORP (JP) 2020-07-09 US disclosed
US-20190284436-A1 COMPOSITION AND METHOD FOR TREATING SEMICONDUCTOR SURFACE JSR CORPORATION (JP) 2019-09-19 US disclosed
US-20190051326-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium DEXERIALS CORPORATION (JP) 2019-02-14 US disclosed
WO-2019027899-A1 ACCELERATED THERMAL CROSSLINKING OF PVDF-HFP VIA ADDITION OF ORGANIC BASES, AND THE USAGE OF CROSSLINKED PVDF-HFP AS GATE DIELECTRIC MATERIAL FOR OTFT DEVICES CORNING INCORPORATED (US) 2019-02-07 WO disclosed
EP-2940109-B1 IONIC LIQUID, LUBRICATING AGENT, AND MAGNETIC RECORDING MEDIUM DEXERIALS CORP (JP) 2019-01-30 EP disclosed
US-20180226094-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium DEXERIALS CORPORATION (JP) 2018-08-09 US disclosed
US-9926508-B2 Ionic liquid, lubricant, and magnetic recording medium DEXERIALS CORPORATION (JP) 2018-03-27 US disclosed
US-20180016510-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium DEXERIALS CORPORATION (JP) 2018-01-18 US disclosed
US-20170066989-A1 IONIC LIQUID, LUBRICANT, AND MAGNETIC RECORDING MEDIUM DEXERIALS CORPORATION (JP) 2017-03-09 US disclosed
US-20170058227-A1 IONIC LIQUID, LUBRICANT, AND MAGNETIC RECORDING MEDIUM DEXERIALS CORPORATION (JP) 2017-03-02 US disclosed
US-20150353558-A1 Ionic Liquid, Lubricating Agent, and Magnetic Recording Medium DEXERIALS CORPORATION (JP) 2015-12-10 US disclosed
US-6794530-B1 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-0999206-B1 Process for producing alpha cyano acetic acid esters BASF AG (DE) 2002-09-18 EP disclosed
US-6130347-A REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0999206-A1 Process for producing alpha cyano acetic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 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 (6 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-10906908-B2 Ionic liquid, lubricating agent, and magnetic recording medium MUC1, JAK1, JAK3 NOS3 3288/4885NOS1 3691/4885NOS2 4072/4885
US-20180226094-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium MUC1, NEFM, JAK1 NOS3 3877/4885NOS1 3878/4885NOS2 4049/4885
US-20200216773-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium MUC1, JAK1, CHRM3 NOS3 3798/4885NOS1 3827/4885NOS2 4021/4885
US-20180016510-A1 Ionic Liquid, Lubricant, and Magnetic Recording Medium MUC1, JAK1, CHRM3 NOS3 3798/4885NOS1 3827/4885NOS2 4021/4885
US-20150353558-A1 Ionic Liquid, Lubricating Agent, and Magnetic Recording Medium MUC1, JAK1, JAK3 NOS3 3288/4885NOS1 3691/4885NOS2 4072/4885
US-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method H1-5, DRD5, NRDC NOS3 444/4885NOS1 171/4885NOS2 431/4885

“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.