SCHEMBL736116

SCHEMBL736116

C=CC(=O)NC(C)(C)CCN

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GAA P10253 1/20 0.30
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL25269003 0.98 MEN1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Trimethylammonium SCHEMBL28830079 0.93 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL2770265 0.85 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL15448877 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28832755 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL4906709 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9215742 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL20467953 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Ethylenediamine SCHEMBL11573194 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL19860763 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709543-B2 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom LUBRIZOL ADVANCED MATERIALS, INC. (US) 2014-04-29 US claimed
EP-1773905-B1 HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS, POLYMERS, AND COPOLYMERS, AND POLYURETHANES AND URETHANE ACRYLICS MADE THEREFROM LUBRIZOL ADVANCED MAT INC (US) 2013-10-09 EP claimed
US-8492576-B2 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-07-23 US claimed
US-20120171914-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom LUBRIZOL ADVANCED MATERIALS, INC. (US) 2012-07-05 US claimed
EP-2272884-A2 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom Lubrizol Advanced Materials, Inc. (US) 2011-01-12 EP claimed
EP-2272885-A2 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom Lubrizol Advanced Materials, Inc. (US) 2011-01-12 EP claimed
EP-2270061-A2 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom Lubrizol Advanced Materials, Inc. (US) 2011-01-05 EP claimed
US-20090312496-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom LAI JOHN TA-YUAN 2009-12-17 US claimed
US-20080050995-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom LUBRIZOL ADVANCED MATERIALS, INC. 2008-02-28 US claimed
EP-1786848-A1 POLYURETHANES AND URETHANE ACRYLICS MADE FROM HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS Noveon, Inc. (US) 2007-05-23 EP claimed
EP-1773905-A1 HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS, POLYMERS, AND COPOLYMERS, AND POLYURETHANES AND URETHANE ACRYLICS MADE THEREFROM Noveon, Inc. (US) 2007-04-18 EP claimed
WO-2006020116-A1 HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS, POLYMERS, AND COPOLYMERS, AND POLYURETHANES AND URETHANE ACRYLICS MADE THEREFROM NOVEON, INC. (US) 2006-02-23 WO claimed
WO-2006020281-A1 POLYURETHANES AND URETHANE ACRYLICS MADE FROM HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS NOVEON, INC. (US) 2006-02-23 WO claimed
WO-2005018326-A1 FUNGICIDAL METHOD COMPRISING THE APPLICATION OF AN ACRYLIC POLYMER SYNGENTA LIMITED (GB) 2005-03-03 WO claimed
US-20050009999-A1 Hydroxyl-terminated thiocarbonate containing compounds, polymers, and copolymers, and polyurethanes and urethane acrylics made therefrom LUBRIZOL ADVANCED MATERIALS, INC. 2005-01-13 US claimed
EP-0340653-A2 Kit for electrophoresis gel medium EASTMAN KODAK COMPANY (US) 1989-11-08 EP claimed
EP-4288489-A1 CROSSLINKABLE ACRYLIC-MODIFIED EPOXY COATING COMPOSITION Arkema, Inc. (US) 2023-12-13 EP disclosed
EP-4208490-A1 COATING COMPOSITION WITH IMPROVED BLOCK AND HUMIDITY RESISTANCE, DIRECT TO METAL ADHERENCE AND LOW VOC CONTENT Arkema, Inc. (US) 2023-07-12 EP disclosed
CN-1270524-A Cationic polymers as toxin binders GELTEX PHARMA INC (US) 2000-10-18 CN disclosed
US-4308189-A ADDITION POLYMER POLYMERIZED IN PRESENCE OF CATIONIC GROUP-MODIFIED POLYVINYL ALCOHOL KURARAY COMPANY, LIMITED (JP) 1981-12-29 US 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-20120171914-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom ALKBH3, HAAO, BHMT2 MEN1 4274/4885KMT2A 2034/4885ALDH1A1 931/4885
US-20090312496-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom ALKBH3, BHMT2, ALKBH2 MEN1 4380/4885KMT2A 1837/4885ALDH1A1 190/4885

“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.