SCHEMBL4747818

SCHEMBL4747818

C=CC(=O)OCCC(N(C)C)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 8/20 0.39
CHRNA4 P43681 8/20 0.39
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39

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
SCHEMBL11870839 0.83 CHRNB2 (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL687248 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Trimethylammonium SCHEMBL27718056 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1635286 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1477898 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28454119 0.80 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
Trimethylammonium SCHEMBL28282564 0.78 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL34661 0.78 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10714314 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29550542 0.78 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115457-A2 FLUOROBETAINE COPOLYMER AND FIRE FIGHTING FOAM CONCENTRATES THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-25 WO disclosed
US-6670508-B2 Quaternizing 1,3-bis-dimethylamineisopropyl acrylate with benzyl chloride at a temperature of 35-60 degrees C., adding water ATOFINA (FR) 2003-12-30 US disclosed
US-20030171489-A1 Saline aqueous dispersions of water soluble (co) polymers based on cationic monomers, method for making same and uses thereof ATOFINA (FR) 2003-09-11 US disclosed
US-20030166771-A1 Water soluble saline aqueous dispersion of copolymers based on cationic monomers, method for making same and uses thereof ATOFINA (FR) 2003-09-04 US disclosed
US-20030153675-A1 Salt-free aqueous dispersions of water soluble (co) polymers based on cationic monomrs, method for making same and uses thereof ATOFINA (FR) 2003-08-14 US disclosed
US-20020193545-A1 Process for manufacturing the chloride of 1,3-bis- (dimethylbenzylammonium) isopropyl, acrylate alone or mixed with other monomers, and corresponding (co) polymers ATOFINA (FR) 2002-12-19 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 (1 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-20020193545-A1 Process for manufacturing the chloride of 1,3-bis- (dimethylbenzylammonium) isopropyl, acrylate alone or mixed with other monomers, and corresponding (co) polymers CLIC1, C9, INTS9 TSHR 4332/4885ALDH1A1 1518/4885TP53 3225/4885

“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.