SCHEMBL204361

SCHEMBL204361

CC(=O)OCCCOC(C)=O.CC(C)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
TSHR P16473 2/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRNB2 P17787 1/20 0.46
TBXA2R P21731 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
GALR3 O60755 2/20 0.44
GAA P10253 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
SCHEMBL315271 0.89 ALDH1A1 (0.74) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL21385010 0.86 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3TSHR
Ammonia Solution, Strong SCHEMBL9807764 0.86 ALDH1A1 (0.70) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid SCHEMBL27535337 0.83 ALDH1A1 (0.67) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL2252807 0.83 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL11223359 0.83 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid Butyl Ester SCHEMBL11120658 0.83 ALDH1A1 (0.82) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL189930 0.83 ALDH1A1 (0.74) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL8619437 0.81 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3TSHR
Acetic Acid Butyl Ester SCHEMBL20942936 0.81 ALDH1A1 (0.78) ALDH1A1CHRM5CHRM1CHRM3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181979-B1 Conversion of a multihydroxylated aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-22 EP disclosed
EP-2174925-B1 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-15 EP disclosed
US-8404905-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloroacetone levels DOW GLOBAL TECHNOLOGIES LLC (US) 2013-03-26 US disclosed
US-8304563-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloroacetone levels DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-06 US disclosed
US-8236975-B2 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2012-08-07 US disclosed
US-8088957-B2 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2012-01-03 US disclosed
US-20110178315-A1 PROCESS FOR THE CONVERSION OF A CRUDE GLYCEROL, CRUDE MIXTURES OF NATURALLY DERIVED MULTICOMPONENT ALIPHATIC HYDROCARBONS OR ESTERS THEREOF TO A CHLOROHYDRIN DOW GLOBAL TECHNOLOGIES LLC (US) 2011-07-21 US disclosed
US-20110124890-A1 BATCH, SEMI-CONTINUOUS OR CONTINUOUS HYDROCHLORINATIONOF GLYCERIN WITH REDUCED VOLATILE CHLORINATED HYDROCARBON BY-PRODUCTS AND CHLOROACETONE LEVELS BLUE CUBE IP LLC 2011-05-26 US disclosed
US-20110124892-A1 BATCH, SEMI-CONTINUOUS OR CONTINUOUS HYDROCHLORINATIONOF GLYCERIN WITH REDUCED VOLATILE CHLORINATED HYDROCARBON BY-PRODUCTS AND CHLOROACETONE LEVELS BLUE CUBE IP LLC 2011-05-26 US disclosed
US-7910781-B2 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multihydroxylated aliphatic hydrocarbons or esters thereof to a chlorohydrin DOW GLOBAL TECHNOLOGIES LLC 2011-03-22 US disclosed
US-7906690-B2 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels DOW GLOBAL TECHNOLOGIES INC. 2011-03-15 US disclosed
EP-2181979-A1 Conversion of a multihydroxylated aliphatic hydrocarbon or ester thereof to a chlorohydrin Dow Global Technologies Inc. (US) 2010-05-05 EP disclosed
EP-2174925-A1 Conversion of a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin Dow Global Technologies Inc. (US) 2010-04-14 EP disclosed
EP-1771403-B1 CONVERSION OF A MULTIHYDROXYLATED-ALIPHATIC HYDROCARBON OR ESTER THEREOF TO A CHLOROHYDRIN DOW GLOBAL TECHNOLOGIES INC (US) 2010-01-06 EP disclosed
US-20080045728-A1 Conversion of a Multihydroxylated-Aliphatic Hydrocarbon or Ester Thereof to a Chlorohydrin BLUE CUBE IP LLC 2008-02-21 US disclosed
US-20080015370-A1 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin BLUE CUBE IP LLC 2008-01-17 US disclosed
US-20080015369-A1 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels BLUE CUBE IP LLC 2008-01-17 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 (6 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-20110124892-A1 BATCH, SEMI-CONTINUOUS OR CONTINUOUS HYDROCHLORINATIONOF GLYCERIN WITH REDUCED VOLATILE CHLORINATED HYDROCARBON BY-PRODUCTS AND CHLOROACETONE LEVELS GK, CHLSN, GLI2 ALDH1A1 613/4885CHRM5 2998/4885CHRM1 3041/4885
US-20080015370-A1 Process for the conversion of a crude glycerol, crude mixtures of naturally derived multicomponent aliphatic hydrocarbons or esters thereof to a chlorohydrin GK, CETP, CYP46A1 ALDH1A1 1721/4885CHRM5 3633/4885CHRM1 4027/4885
US-20080045728-A1 Conversion of a Multihydroxylated-Aliphatic Hydrocarbon or Ester Thereof to a Chlorohydrin CHN2, HDHD5, ASPH ALDH1A1 2449/4885CHRM5 4240/4885CHRM1 4509/4885
US-20110178315-A1 PROCESS FOR THE CONVERSION OF A CRUDE GLYCEROL, CRUDE MIXTURES OF NATURALLY DERIVED MULTICOMPONENT ALIPHATIC HYDROCARBONS OR ESTERS THEREOF TO A CHLOROHYDRIN GK, CETP, CYP46A1 ALDH1A1 1721/4885CHRM5 3633/4885CHRM1 4027/4885
US-20110124890-A1 BATCH, SEMI-CONTINUOUS OR CONTINUOUS HYDROCHLORINATIONOF GLYCERIN WITH REDUCED VOLATILE CHLORINATED HYDROCARBON BY-PRODUCTS AND CHLOROACETONE LEVELS GK, CHLSN, GLI2 ALDH1A1 613/4885CHRM5 2998/4885CHRM1 3041/4885
US-20080015369-A1 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels GK, GLI2, CHLSN ALDH1A1 701/4885CHRM5 2583/4885CHRM1 2178/4885

“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.