SCHEMBL2761089

SCHEMBL2761089

CCCC[n+]1ccccc1.COS(=O)(=O)[O-]

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 4/20 0.55
CHRM1 known ✓ P11229 2/20 0.55
CHRM3 known ✓ P20309 1/20 0.53
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
PGR P06401 1/20 0.55
HTR1A P08908 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55

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
Cetylpyridinium SCHEMBL28858770 0.93 ACHE (0.67) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL2746098 0.93 ACHE (0.67) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL28869338 0.89 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL27700906 0.89 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
Sulfuric Acid SCHEMBL3005563 0.89 ACHE (0.63) ACHECHRM2ADRA2AADORA3CHRM1
Sulfuric Acid SCHEMBL21195033 0.87 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL1715389 0.87 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL3000699 0.86 ACHE (0.52) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL27700598 0.86 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL28947528 0.85 ACHE (0.59) ACHECHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395906-A1 ELECTROCHEMICAL DEBLOCKING SOLUTION FOR ELECTROCHEMICAL OLIGOMER SYNTHESIS ON AN ELECTRODE ARRAY CUSTOMARRAY INC (US) 2021-12-23 US claimed
US-20150335547-A1 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS COLGATE-PALMOLIVE COMPANY (US) 2015-11-26 US claimed
EP-2934469-A2 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS Colgate-Palmolive Company (US) 2015-10-28 EP claimed
WO-2014098871-A2 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS COLGATE-PALMOLIVE COMPANY (US) 2014-06-26 WO claimed
US-20130341561-A1 ELECTROCHEMICAL DEBLOCKING SOLUTION FOR ELECTROCHEMICAL OLIGOMER SYNTHESIS ON AN ELECTRODE ARRAY CUSTOMARRAY, INC. (US) 2013-12-26 US claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
US-7718579-B2 Electrochemical deblocking using a hydrazine derivative COMBIMATRIX CORPORATION (US) 2010-05-18 US claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
EP-1805206-A2 ELECTROCHEMICAL DEBLOCKING USING A HYDRAZINE DERIVATIVE Combimatrix Corporation (US) 2007-07-11 EP claimed
US-20070034513-A1 Electrochemical deblocking solution for electrochemical oligomer synthesis on an electrode array COMBIMATRIX CORPORATION 2007-02-15 US claimed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO claimed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
WO-2006031814-A2 ELECTROCHEMICAL DEBLOCKING USING A HYDRAZINE DERIVATIVE COMBIMATRIX CORPORATION (US) 2006-03-23 WO claimed
US-20060054511-A1 Electrochemical deblocking using a hydrazine derivative CUSTOMARRAY, INC. 2006-03-16 US claimed
US-20240101999-A1 HIGH EFFICIENCY, SMALL VOLUME NUCLEIC ACID SYNTHESIS THERMO FISHER SCIENTIFIC GENEART GMBH (DE) 2024-03-28 US disclosed
CN-115927293-A Efficient small volume nucleic acid synthesis 生命技术公司 2023-04-07 CN disclosed
CN-107532129-B Efficient small volume nucleic acid synthesis 生命技术公司 2022-09-13 CN disclosed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
WO-2006031814-A2 ELECTROCHEMICAL DEBLOCKING USING A HYDRAZINE DERIVATIVE COMBIMATRIX CORPORATION (US) 2006-03-23 WO disclosed
US-20060054511-A1 Electrochemical deblocking using a hydrazine derivative CUSTOMARRAY, INC. 2006-03-16 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT ACHE 796/4885CHRM1 2670/4885CHRM3 787/4885
US-20210395906-A1 ELECTROCHEMICAL DEBLOCKING SOLUTION FOR ELECTROCHEMICAL OLIGOMER SYNTHESIS ON AN ELECTRODE ARRAY DNMT1, DNASE1, DNPEP ACHE 701/4885CHRM1 4043/4885CHRM3 1982/4885
US-20150335547-A1 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS MCOLN3, TAS2R39, TAS2R40 ACHE 3664/4885CHRM1 1418/4885CHRM3 1417/4885

“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.