SCHEMBL771037

SCHEMBL771037

C=CC(=O)OC(CN(C)C)CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 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
SCHEMBL1038644 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28745471 0.81 TSHR (0.45) TSHRHPGDALDH1A1THRB
SCHEMBL11320958 0.80 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6367761 0.76 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28734558 0.76 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL757462 0.76 TSHR (0.42) TSHRHPGDALDH1A1MAPK1
SCHEMBL561301 0.76 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL27596408 0.75 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28946668 0.74 TSHR (0.38) TSHRHPGDALDH1A1HSD17B10
SCHEMBL28946684 0.73 TSHR (0.37) TSHRHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916058-B2 Fluorobetaine copolymer and fire fighting foam concentrates therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US claimed
US-8916058-B2 Fluorobetaine copolymer and fire fighting foam concentrates therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US disclosed
US-8753615-B2 Ethylene copolymer with PEG, cationic and anionic units, cosmetic composition including same and treatment method L'OREAL (FR) 2014-06-17 US disclosed
US-8753615-B2 Ethylene copolymer with PEG, cationic and anionic units, cosmetic composition including same and treatment method L'OREAL (FR) 2014-06-17 US disclosed
US-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2012-03-22 US disclosed
US-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2012-03-22 US disclosed
EP-1676004-B1 FIBROUS STRUCTURES EXHIBITING IMPROVED WET STRENGTH PROPERTIES PROCTER & GAMBLE (US) 2010-11-17 EP disclosed
WO-2010116063-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2010-10-14 WO disclosed
US-7799944-B2 Process for the preparation of (meth)acrylate di-ammonium salts and their use as monomers for the synthesis of polymers TAMINCO N.V. (BE) 2010-09-21 US disclosed
US-20100168318-A1 FLUOROBETAINE COPOLYMER AND FIRE FIGHTING FOAM CONCENTRATES THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2010-07-01 US disclosed
US-7217339-B2 Fibrous structures exhibiting improved wet strength properties THE PROCTER & GAMBLE COMPANY (US) 2007-05-15 US disclosed
US-7217339-B2 Fibrous structures exhibiting improved wet strength properties THE PROCTER & GAMBLE COMPANY (US) 2007-05-15 US disclosed
US-20070010591-A1 Process for the preparation of (meth)acrylate di-ammonium salts and their use as monomers for the synthesis of polymers TAMINCO NV (BE) 2007-01-11 US disclosed
EP-1663948-A1 PROCESS FOR THE PREPARATION OF (METH)ACRYLATE DI-AMMONIUM SALTS AND THEIR USE AS MONOMERS FOR THE SYNTHESIS OF POLYMERS Taminco N.V. (BE) 2006-06-07 EP disclosed
WO-2005023754-A1 PROCESS FOR THE PREPARATION OF (METH)ACRYLATE DI-AMMONIUM SALTS AND THEIR USE AS MONOMERS FOR THE SYNTHESIS OF POLYMERS TAMINCO N.V. (BE) 2005-03-17 WO disclosed
EP-1512676-A1 Process for the preparation of (meth)acrylate di-ammonium salts and their use as monomers for the synthesis of polymers Taminco N.V. (BE) 2005-03-09 EP disclosed
US-6841697-B2 Process for preparing 2-(dimethylamino)-1-(dimethyl-aminomethyl) ethyl meth (acrylate) ATOFINA (FR) 2005-01-11 US disclosed
US-20020183543-A1 Process for preparing 2-(dimethylamino)-1-(dimethyl-aminomethyl) ethyl meth (acrylate) ATOFINA (FR) 2002-12-05 US disclosed
US-6469204-B2 P-XYLYLENE DICHLORIDE IS REACTED WITH DIMETHYLETHYL OR DIMETHYLISOPROPYLAMINE TO PRODUCE AN INTERMEDIATE, REACTING PRODUCT WITH (METH)ACRYLIC ACID, DIMETHYLAMINOETHYL ESTER OR (METH)ACRYLIC ACID, TETRAMETHYLDIAMINOISOPROPYL ESTER ATOFINA (FR) 2002-10-22 US disclosed
US-20020091284-A1 NOVEL ACRYLATES COMPRISING SEVERAL QUATERNARY AMINO GROUPS IN THE ALCOHOL PART, THEIR PROCESS OF MANUFACTURE AND THE (CO) POLYMERS OBTAINED FROM THESE MONOMERS ATOFINA (FR) 2002-07-11 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-20020183543-A1 Process for preparing 2-(dimethylamino)-1-(dimethyl-aminomethyl) ethyl meth (acrylate) ADH1C, ADH1A, ADH5 TSHR 575/4885HPGD 2327/4885ALDH1A1 20/4885
US-20020091284-A1 NOVEL ACRYLATES COMPRISING SEVERAL QUATERNARY AMINO GROUPS IN THE ALCOHOL PART, THEIR PROCESS OF MANUFACTURE AND THE (CO) POLYMERS OBTAINED FROM THESE MONOMERS ADH1A, ADH1C, POLR2B TSHR 2797/4885HPGD 1993/4885ALDH1A1 201/4885
US-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD EGFR, ERCC1, ERCC5 TSHR 2468/4885HPGD 1293/4885ALDH1A1 1329/4885

“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.