SCHEMBL737733

SCHEMBL737733

C=Cc1ccncc1.C[N+](C)(C)C(CC(=O)O)C(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC22A4 Q9H015 1/20 0.32
SNCA P37840 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
STK17B O94768 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL6555547 0.99 POLB (0.42) POLBALPLALPGMMP12MMP13
Hydrochloric Acid SCHEMBL7997040 0.99 POLB (0.42) POLBALPLALPGMMP12MMP13
Methane SCHEMBL8385513 0.78 PTGS2 (0.34) POLBALPLALPGCYP1A2CYP2C19
SCHEMBL15622921 0.78 ALPL (0.35) POLBALPLALPGCYP1A2CYP2C19
SCHEMBL356738 0.75 POLB (0.52) POLBALPLALPGGAAMAPT
Malic Acid SCHEMBL28826571 0.75 SMN1; SMN2 (0.50) MMP12MMP13ITGB3ITGA2BSNCA
Propionic Acid SCHEMBL11408290 0.74 JUN (0.42) CYP1A2CYP2C19MAPTSNCAJUN
Glycinebetaine SCHEMBL7757800 0.74 CYP1A2 (0.49) POLBCYP1A2CYP2C19MAPTSNCA
Acetic Acid SCHEMBL8516899 0.72 JUN (0.47) CYP1A2CYP2C19GAASNCAJUN
Propionic Acid SCHEMBL28801703 0.71 JUN (0.40) CYP1A2CYP2C19GAAMAPTSNCA

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 39 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
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-1554241-B1 S-(ALPHA,ALPHA'-DISUBSTITUTED-ALPHA\"-ACETIC ACID) SUBSTITUTED DITHIOCARBONATE DERIVATIVES FOR CONTROLLED RADICAL POLYMERISATIONS, PROCESS AND POLYMERS MADE THEREFROM LUBRIZOL ADVANCED MAT INC (US) 2015-03-18 EP disclosed
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 disclosed
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 disclosed
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 disclosed
WO-2004037780-A1 S-(a, a’ -DISUBSTITUTED-a” -ACETIC ACID) SUBSTITUTED DITHIOCARBONATE DERIVATIVES FOR CONTROLLED RADICAL POLYMERIZATIONS, PROCESS AND POLYMERS MADE THEREFROM NOVEON IP HOLDINGS CORP. (US) 2004-05-06 WO disclosed
US-20040073056-A1 S-(alpha, alpha'-disubstituted-alpha\"-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom LUBRIZOL ADVANCED MATERIALS, INC. 2004-04-15 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 (3 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 POLB 1264/4885ALPL 3977/4885ALPG 3038/4885
US-20090312496-A1 Hydroxyl-Terminated Thiocarbonate Containing Compounds, Polymers, and Copolymers, and Polyurethanes and Urethane Acrylics Made Therefrom ALKBH3, BHMT2, ALKBH2 POLB 1449/4885ALPL 3974/4885ALPG 3557/4885
US-20040073056-A1 S-(alpha, alpha'-disubstituted-alpha\"-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom TST, ACMSD, SRM POLB 480/4885ALPL 4527/4885ALPG 3326/4885

“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.