SCHEMBL4617830

SCHEMBL4617830

C=CC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6277281 0.80 BBOX1 (0.33) TSHRCYP3A4NFKB1NPSR1
SCHEMBL18546115 0.78 TSHR (0.45) TSHRZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL2551109 0.77 TSHR (0.44) TSHRZDHHC20ZDHHC2
SCHEMBL8812137 0.75 CPT2 (0.48)
SCHEMBL3957297 0.75 CPT2 (0.48)
SCHEMBL1626363 0.75 CPT2 (0.48)
SCHEMBL6871243 0.75 CPT2 (0.48)
SCHEMBL934075 0.75 CPT2 (0.48)
SCHEMBL7588962 0.74 TSHR (0.41) TSHRZDHHC20ZDHHC2
Bromide SCHEMBL28984950 0.73 TSHR (0.40) TSHRZDHHC20ZDHHC2

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-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US claimed
WO-2024086642-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. (US) 2024-04-25 WO claimed
CN-112552893-B Molecular membrane surfactant for reducing pressure and increasing injection and preparation method thereof 德仕能源科技集团股份有限公司 2022-08-02 CN claimed
CN-112552893-A Molecular membrane surfactant for reducing pressure and increasing injection and preparation method thereof 德仕能源科技集团股份有限公司 2021-03-26 CN claimed
EP-2793819-B1 COLOURING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS HENKEL AG & CO KGAA (DE) 2019-01-02 EP claimed
US-9125832-B2 Coloring composition with direct dyes and zwitterionic surfactants HENKEL AG & CO. KGAA (DE) 2015-09-08 US claimed
US-20140298595-A1 COLORING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS HENKEL AG & CO. KGAA (DE) 2014-10-09 US claimed
EP-1876225-A1 Broad spectrum and skin friendly disinfecting composition Centennial Ventures BV (NL) 2008-01-09 EP claimed
US-4595526-A Nonionic alkyl phenol, condensate with ethylene and propylene oxides, anionic sulfate, sulfonate, and ester detergent, betaine derivative, fatty acid ethanolamide foam stabilizer COLGATE-PALMOLIVE COMPANY (US) 1986-06-17 US claimed
US-4166845-A BETAINE DETERGENT COLGATE-PALMOLIVE COMPANY (US) 1979-09-04 US claimed
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US disclosed
WO-2024086642-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. (US) 2024-04-25 WO disclosed
CN-112552893-B Molecular membrane surfactant for reducing pressure and increasing injection and preparation method thereof 德仕能源科技集团股份有限公司 2022-08-02 CN disclosed
CN-112552893-A Molecular membrane surfactant for reducing pressure and increasing injection and preparation method thereof 德仕能源科技集团股份有限公司 2021-03-26 CN disclosed
EP-1967546-B1 Cationic Polymer Latex ROHM & HAAS (US) 2013-04-24 EP disclosed
WO-1992008777-A1 LIGHT-DUTY DISHWASHING DETERGENT COMPOSITION CONTAINING AN ALKYL ETHOXY CARBOXYLATE SURFACTANT AND CALCIUM OR MAGNESIUM IONS THE PROCTER & GAMBLE COMPANY (US) 1992-05-29 WO disclosed
EP-0399752-A2 Light-duty liquid or gel dishwashing detergent composition containing an alkyl ethoxy carboxylate surfactant THE PROCTER & GAMBLE COMPANY (US) 1990-11-28 EP disclosed
US-4166845-A BETAINE DETERGENT COLGATE-PALMOLIVE COMPANY (US) 1979-09-04 US disclosed
EP-0002127-A1 Shaving composition Moss, Arthur (GB) 1979-05-30 EP disclosed
US-3940482-A ALIPHATIC POLYAMINE, SOLVENT, FUNGICIDE, BACTERICIDE COLGATE-PALMOLIVE COMPANY (US) 1976-02-24 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-20140298595-A1 COLORING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS KRT18, DSG1, DSP TSHR 4635/4885ZDHHC20 2655/4885ZDHHC2 2687/4885
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH WASHC4, DERA, ADH1C TSHR 4593/4885ZDHHC20 2520/4885ZDHHC2 1560/4885

“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.