SCHEMBL1847699

SCHEMBL1847699

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

nearest known ligand 0.44

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 6/20 0.44
CHRM3 known ✓ P20309 6/20 0.44
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
CHRM5 P08912 6/20 0.44
CHRM2 P08172 5/20 0.44
CHRM4 P08173 5/20 0.44
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CHRNA7 P36544 3/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HTR1A P08908 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP3A4 P08684 1/20 0.44
PGR P06401 1/20 0.44
TBXA2R P21731 1/20 0.44

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
Hydrochloric Acid SCHEMBL1706793 0.98 CHRM5 (0.46) TSHRHPGDCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL27659544 0.98 TSHR (0.43) TSHRHPGDCHRM5CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL27687333 0.98 TSHR (0.43) TSHRHPGDCHRM5CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL27707442 0.93 TSHR (0.39) TSHRHPGDCHRM5CHRM1CHRM3
Sulfuric Acid SCHEMBL2790952 0.91 TSHR (0.48) TSHRHPGDCHRM5CHRM1CHRM3
Sulfuric Acid Dimethyl Ester SCHEMBL8336212 0.90 TSHR (0.44) TSHRHPGDCHRM5CHRM1CHRM3
Sulfuric Acid SCHEMBL1706603 0.90 CHRM5 (0.50) TSHRHPGDCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL16913378 0.89 TSHR (0.49) TSHRHPGDCHRM5CHRM1CHRM3
SCHEMBL304033 0.89 TSHR (0.43) TSHRHPGDCHRM5CHRM1CHRM3
Sulfuric Acid SCHEMBL1952728 0.88 TSHR (0.46) TSHRHPGDCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103797019-B Method for controlling depolymerization of polymer compositions 罗地亚管理公司 2018-04-03 CN disclosed
CN-102307722-B Method for controlling depolymerization of polymer compositions 罗地亚管理公司 2016-06-22 CN disclosed
CN-102770208-B Living organism load detection using microparticles 3M INNOVATIVE PROPERTIES CO. (US) 2016-02-03 CN disclosed
CN-102356346-B Co-assembly method and co-assembly structure prepared by same RHODIA OPERATIONS 2015-01-14 CN disclosed
WO-2014202876-A1 CHEMICAL COMPOSITION INCORPORATING MOLECULES ACTIVE AGAINST INSECTS AND ACTIVE SYSTEM COMPRISING A SUPPORT TREATED WITH SUCH A CHEMICAL COMPOSITION LONG LASTING INNOVATION (FR) 2014-12-24 WO disclosed
CN-102245755-B Biological detection article 3M INNOVATIVE PROPERTIES CO 2013-11-06 CN disclosed
CN-102770208-A Living organism load detection using microparticles 3M INNOVATIVE PROPERTIES CO 2012-11-07 CN disclosed
WO-2012080582-A2 METHOD FOR BINDING ACTIVE MOLECULES TO A CATIONIC SUBSTRATE BY MEANS OF IONIC AND COVALENT BONDING, ACTIVE ELEMENT COMPRISING A CATIONIC SUBSTRATE AND ACTIVE MOLECULES BOUND TO SAID CATIONIC SUBSTRATE BY MEANS OF IONIC AND COVALENT BONDING, CATIONIC SUBSTRATE, AND METHOD FOR PRODUCING SUCH A CATIONIC SUBSTRATE LONG LASTING INNOVATION - L2I (FR) 2012-06-21 WO disclosed
CN-102356346-A Co-assembly method and co-assembly structure prepared by same RHODIA OPERATIONS 2012-02-15 CN disclosed
CN-102307722-A Method for controlling depolymerization of polymer compositions RHODIA OPERATIONS 2012-01-04 CN disclosed
CN-102245755-A Biological detection article 3M INNOVATIVE PROPERTIES CO 2011-11-16 CN disclosed
EP-2323778-A1 METHOD FOR BONDING ACTIVE MOLECULES ONTO A CARRIER, ACTIVE ELEMENT OBTAINED BY SAID METHOD, AND CHEMICAL COMPOSITION FOR IMPLEMENTING SAID METHOD Long Lasting Innovation - L2i (Société À Responsabilité Limitée) (FR) 2011-05-25 EP disclosed
US-7846423-B2 Cosmetic composition comprising a block copolymer RHODIA CHIMIE (FR) 2010-12-07 US disclosed
WO-2010018311-A1 METHOD FOR BONDING ACTIVE MOLECULES ONTO A CARRIER, ACTIVE ELEMENT OBTAINED BY SAID METHOD, AND CHEMICAL COMPOSITION FOR IMPLEMENTING SAID METHOD LONG LASTING INNOVATION - L2I (Société à responsabilité limitée) (FR) 2010-02-18 WO disclosed
US-20070212322-A1 Cosmetic composition comprising a block copolymer BAVOUZET BRUNO 2007-09-13 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-20070212322-A1 Cosmetic composition comprising a block copolymer CUTA, POLB, MSH6 CHRM1 3827/4885CHRM3 4243/4885TSHR 2411/4885

“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.