SCHEMBL1000862

SCHEMBL1000862

C=CC(=O)NCCN(C)C.COS(=O)(=O)O

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TGM2 P21980 3/20 0.39
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 2/20 0.36
DNM1 Q05193 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CD274 Q9NZQ7 1/20 0.32

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
Chloromethane SCHEMBL2594603 0.97 ZDHHC20 (0.42) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL127108 0.91 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL27749503 0.89 ZDHHC20 (0.49) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL27346 0.86 ALDH1A1 (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL2804444 0.84 ALDH1A1 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL3681199 0.84 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL5961784 0.84 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Chloromethane SCHEMBL1099332 0.83 ALDH1A1 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Bicarbonate SCHEMBL9017531 0.83 ALDH1A1 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL15846309 0.81 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825385-B1 DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE BY USING FLUORESCENT POLYMERS IN MARKING COMPOSITIONS ECOLAB USA INC (US) 2024-06-12 EP claimed
EP-3825385-A1 DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE BY USING FLUORESCENT POLYMERS IN MARKING COMPOSITIONS Ecolab USA Inc. (US) 2021-05-26 EP claimed
US-10994041-B2 Use of fluorescent polymers in marking compositions for the diagnostic determination of cleaning performance ECOLAB USA INC. (US) 2021-05-04 US claimed
US-20210000994-A1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC. 2021-01-07 US claimed
EP-3164702-B1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC (US) 2020-12-09 EP claimed
US-10323112-B2 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. (US) 2019-06-18 US claimed
US-10155058-B2 Use of fluorescent polymers in marking compositions for the diagnostic determination of cleaning performance ECOLAB USA INC. (US) 2018-12-18 US claimed
US-20180085483-A1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC. 2018-03-29 US claimed
US-9867895-B2 Use of fluorescent polymers in marking compositions for the diagnostic determination of cleaning performance ECOLAB USA INC. (US) 2018-01-16 US claimed
EP-2938578-B9 TAGGED TREATMENT POLYMERS CONTAINING FLUORESCENT MONOMERS FOR USE IN INDUSTRIAL WATER SYSTEMS ECOLAB USA INC (US) 2017-12-27 EP claimed
US-20060254985-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2006-11-16 US claimed
US-7008618-B1 Water soluble monomers and polymers for protecting substrates from ultraviolet light NALCO COMPANY (US) 2006-03-07 US claimed
EP-1558202-A1 WATER SOLUBLE MONOMERS AND POLYMERS FOR PROTECTING SUBTRATES FROM ULTRAVIOLET LIGHT Nalco Company (US) 2005-08-03 EP claimed
EP-1282732-A4 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO CO (US) 2004-12-22 EP claimed
US-20040135125-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2004-07-15 US claimed
US-20040135124-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2004-07-15 US claimed
WO-2004043412-A1 WATER SOLUBLE MONOMERS AND POLYMERS FOR PROTECTING SUBTRATES FROM ULTRAVIOLET LIGHT NALCO COMPANY (US) 2004-05-27 WO claimed
US-6645428-B1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ONDEO NALCO COMPANY 2003-11-11 US claimed
EP-1282732-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS Ondeo Nalco Company (US) 2003-02-12 EP claimed
WO-2001081654-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2001-11-01 WO claimed

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-10323112-B2 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems PFAS, PHAX, AGPS ZDHHC20 3213/4885ZDHHC2 3615/4885ALDH1A1 856/4885

“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.