SCHEMBL338845

SCHEMBL338845

C[N+](C)(C)CCOC(=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.62
CHRM3 P20309 8/20 0.62
CHRM2 P08172 7/20 0.62
CHRM4 P08173 7/20 0.62
CHRM5 P08912 6/20 0.62
CHRNB2 P17787 4/20 0.62
CHRNA4 P43681 4/20 0.62
CHRNA7 P36544 3/20 0.62
HTR1A P08908 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ADRA2A P08913 1/20 0.62
ADRA1A P35348 1/20 0.62
PGR P06401 1/20 0.62
TBXA2R P21731 1/20 0.62
CHRNB4 P30926 1/20 0.62
CHRNA3 P32297 1/20 0.62
CHRNA10 Q9GZZ6 1/20 0.62
CHRNA9 Q9UGM1 1/20 0.62
CYP2D6 P10635 1/20 0.61
NFKB1 P19838 1/20 0.61

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
SCHEMBL8945372 0.86 CHRM5 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL10643358 0.82 CHRM5 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8945111 0.82 MEN1 (0.46) CHRM1CHRM3CHRM2CHRM4CHRM5
Acetylcholine SCHEMBL28054287 0.79 CHRM1 (0.83) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL3789468 0.79 CHRM5 (0.59) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL119825 0.79 CHRM1 (0.68) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL3788608 0.79 CHRM5 (0.73) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL31164010 0.79 ALDH1A1 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL16684872 0.78 ADRA2A (0.59) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL31164013 0.78 DNM1 (0.50) ADRA1ALMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115970060-B Method for improving calcification resistance and anticoagulation performance of biological valve material by double bond post-crosslinking 四川大学 2024-04-30 CN claimed
CN-116693908-A PEDOT-PSS film with high conductivity and preparation method thereof 浙江大学 2023-09-05 CN claimed
CN-115970060-A Method for improving calcification resistance and anticoagulation of biological valve material through double-bond post-crosslinking 四川大学 2023-04-18 CN claimed
CN-114748695-B Method for improving calcification and anticoagulation of biological valve material by double-bond post-crosslinking 四川大学 2022-12-23 CN claimed
CN-114748695-A Method for improving calcification and anticoagulation of biological valve material by double-bond post-crosslinking 四川大学 2022-07-15 CN claimed
EP-3331360-A1 CHOLINE SALT AND AMMONIUM-FREE ADJUVANTS FOR WATER CONDITIONING AND AGRICULTURAL FORMULATIONS Rhodia Operations (FR) 2018-06-13 EP claimed
WO-2017027250-A1 CHOLINE SALT AND AMMONIUM-FREE ADJUVANTS FOR WATER CONDITIONING AND AGRICULTURAL FORMULATIONS RHODIA OPERATIONS (FR) 2017-02-16 WO claimed
US-20170035046-A1 CHOLINE SALT AND AMMONIUM-FREE ADJUVANTS FOR WATER CONDITIONING AND AGRICULTURAL FORMULATIONS RHODIA OPERATIONS (FR) 2017-02-09 US claimed
CN-104829563-B Method for separating 5-hydroxymethyl furfural and 2,5-diformylfuran mixture 华南理工大学 2017-01-11 CN claimed
CN-103588903-B A kind of friendly process of separation wheat straw biological raw material HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-02-10 CN claimed
WO-2015165492-A1 METHOD FOR PREPARING AN ANIMAL FEED SUPPLEMENT COMPOSITION TAMINCO (BE) 2015-11-05 WO claimed
CN-103435719-B The tripping device of biomass material and technique thereof in a kind of wheat stalk HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-09-02 CN claimed
CN-104829563-A Method for separating 5-hydroxymethyl furfural and 2,5-diformylfuran mixture UNIV SOUTH CHINA TECH 2015-08-12 CN claimed
EP-2378896-B1 PROCESS FOR PREPARING A FREE-FLOWING POWDER CONTAINING A DELIQUESCENT QUATERNARY AMMONIUM COMPOUND TAMINCO N V (BE) 2015-01-14 EP claimed
US-8916214-B2 Process for preparing a free-flowing powder containing a deliquescent quaternary ammonium compound TAMINCO N.V. (BE) 2014-12-23 US claimed
CN-103588903-A Green process for separating biomass raw materials of wheat straws UNIV HENAN SCIENCE & TECH 2014-02-19 CN claimed
CN-103435719-A Separation device and process of biomass raw materials in wheat straws UNIV HENAN SCIENCE & TECH 2013-12-11 CN claimed
US-7566686-B2 Shale inhibition additive for oil/gas down hole fluids and methods for making and using same CLEARWATER INTERNATIONAL, LLC (US) 2009-07-28 US claimed
US-20080039345-A1 Shale inhibition additive for oil/gas down hole fluids and methods for making and using same CLEARWATER INTERNATIONAL, L.L.C. 2008-02-14 US claimed
US-20060116296-A1 Shale Inhibition additive for oil/gas down hole fluids and methods for making and using same CLEARWATER INTERNATIONAL, L.L.C. 2006-06-01 US 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-20170035046-A1 CHOLINE SALT AND AMMONIUM-FREE ADJUVANTS FOR WATER CONDITIONING AND AGRICULTURAL FORMULATIONS ACHE, PHOSPHO1, CHAT CHRM1 28/4885CHRM3 32/4885CHRM2 13/4885

“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.