SCHEMBL630863

SCHEMBL630863

C=C(C)C(=O)OCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

nearest known ligand 0.42

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
CHRM1 known ✓ P11229 7/20 0.38
CHRM3 known ✓ P20309 5/20 0.38
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
CHRM4 P08173 4/20 0.38
CHRM2 P08172 5/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 3/20 0.35
ALDH1A1 P00352 2/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
BBOX1 O75936 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GALR3 O60755 2/20 0.33

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
SCHEMBL9087691 0.88 THRB (0.42) THRBTSHRCHRM1CHRM3CHRM4
Sulfuric Acid SCHEMBL1683534 0.88 THRB (0.47) THRBTSHRCHRM1CHRM3CHRM4
SCHEMBL1597440 0.87 THRB (0.53) THRBTSHRCHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL475669 0.87 THRB (0.53) THRBTSHRCHRM1CHRM3CHRM4
SCHEMBL1645591 0.87 THRB (0.44) THRBTSHRCHRM1CHRM3CHRM4
SCHEMBL34072 0.86 CHRM5 (0.50) THRBTSHRCHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL1292784 0.86 CHRM5 (0.50) THRBTSHRCHRM1CHRM3CHRM4
Bromide SCHEMBL246208 0.86 THRB (0.52) THRBTSHRCHRM1CHRM3CHRM4
SCHEMBL9442198 0.83 TSHR (0.46) THRBTSHRCHRM1CHRM3CHRM5
Acrylic Acid SCHEMBL3918790 0.82 CHRM5 (0.42) THRBTSHRCHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999294-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE Advanced Materials Technology, Inc. (US) 2008-12-10 EP claimed
WO-2007095158-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE ADVANCED MATERIALS TECHNOLOGY, INC. (US) 2007-08-23 WO claimed
US-6262168-B1 USED IN WATER TREATING, DEWATERING, WATER CLARIFICATION, PAPERMAKING, OIL FIELD, SOIL CONDITIONING, FOOD PROCESSING, MINERAL PROCESSING, AND BIOTECHNOLOGICAL APPLICATIONS CYTEC TECHNOLOGY CORP. 2001-07-17 US claimed
JP-55059806-A None JP disclosed
CN-115850602-A Lithium ion battery anode slurry dispersant and preparation method thereof 深圳好电科技有限公司 2023-03-28 CN disclosed
EP-2552497-B1 METHOD OF STERILIZATION OF WOUND DRESSINGS 3M INNOVATIVE PROPERTIES CO (US) 2021-01-13 EP disclosed
US-9439809-B2 Method of sterilization of wound dressings 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-13 US disclosed
US-20140004200-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-01-02 US disclosed
EP-2552497-A2 METHOD OF STERILIZATION OF WOUND DRESSINGS 3M Innovative Properties Company (US) 2013-02-06 EP disclosed
US-20130011296-A1 METHOD OF STERILIZATION OF WOUND DRESSINGS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2013-01-10 US disclosed
EP-1603600-B1 POLYMER COMPOSITIONS WITH BIOACTIVE SILVER, COPPER OR ZINC COMPOUNDS, MEDICAL ARTICLES, AND PROCESSES 3M INNOVATIVE PROPERTIES CO (US) 2013-01-02 EP disclosed
EP-0649820-A1 SLUDGE DEHYDRATING AGENT KURITA WATER INDUSTRIES LTD. (JP) 1995-04-26 EP disclosed
US-5385802-A Process for producing toner FUJI XEROX CO., LTD. (JP) 1995-01-31 US disclosed
US-4438095-A New cosmetic compositions for hair or skin conditioning, and the application thereof SOCIETE ANONYME DITE: L'OREAL (FR) 1984-03-20 US disclosed
US-4354944-A Clarification of ammonium polyphosphate solutions STANDARD OIL COMPANY (INDIANA) (US) 1982-10-19 US disclosed
JP-S5559806-A CATIONIC HIGH MOLECULAR FLOCCULANT AND FLOCCULATING METHOD SANYO CHEM IND LTD 1980-05-06 JP disclosed
US-4158595-A AQUEOUS SUSPENSION OF ANIONIC AND CATIONIC NITROGEN-CONTAINING POLYMERS HERCULES INCORPORATED (US) 1979-06-19 US disclosed
US-4154647-A TREATMENT WITH AQUEOUS MIXTURE OF CATIONIC AND ANIONIC WATER-SOLUBLE NITROGEN-CONTAINING POLYMERS HERCULES INCORPORATED (US) 1979-05-15 US disclosed
EP-0000628-A1 Process of preparing hydrophilic polyolefin fibers, the fibers so produced, and paper containing said fibers. HERCULES INCORPORATED (US) 1979-02-07 EP disclosed
US-4065598-A IMPARTING ANTISTATIC, SOIL RELEASE, AND WATER ABSORBING PROPERTIES TO A FIBER BY ADHERING ACRYLATE MONOMERS, THEN POLYMERIZING TORAY INDUSTRIES, INC. (JA) 1977-12-27 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-20140004200-A1 POLYMER COMPOSITIONS WITH BIOACTIVE AGENT, MEDICAL ARTICLES, AND METHODS ZRANB2, PUF60, BMP2 CHRM1 4487/4885CHRM3 4621/4885THRB 4510/4885

“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.