SCHEMBL204360

SCHEMBL204360

CC(=O)OCCC(CC(C)Cl)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRM1 P11229 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
TBXA2R P21731 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13825187 0.81 ALOX15 (0.44) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL2734130 0.79 ALDH1A1 (0.44) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL7547957 0.78
SCHEMBL11810542 0.78 ALOX15 (0.40) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL11913587 0.77 ALDH1A1 (0.45) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL7757645 0.77 PRKCA (0.44) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL18652575 0.77 TDP1 (0.47) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL4918612 0.76 ALOX15 (0.41) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL4925985 0.76 ALOX15 (0.41) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2
SCHEMBL4918620 0.76 ALOX15 (0.41) ALOX15TSHRALDH1A1CHRM1SMN1; SMN2

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 ALOX15 1347/4885TSHR 3840/4885ALDH1A1 613/4885
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 ALOX15 278/4885TSHR 4840/4885ALDH1A1 1721/4885
US-20080045728-A1 Conversion of a Multihydroxylated-Aliphatic Hydrocarbon or Ester Thereof to a Chlorohydrin CHN2, HDHD5, ASPH ALOX15 983/4885TSHR 4760/4885ALDH1A1 2449/4885
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 ALOX15 278/4885TSHR 4840/4885ALDH1A1 1721/4885
US-20110124890-A1 BATCH, SEMI-CONTINUOUS OR CONTINUOUS HYDROCHLORINATIONOF GLYCERIN WITH REDUCED VOLATILE CHLORINATED HYDROCARBON BY-PRODUCTS AND CHLOROACETONE LEVELS GK, CHLSN, GLI2 ALOX15 1347/4885TSHR 3840/4885ALDH1A1 613/4885
US-20080015369-A1 Batch, semi-continuous or continuous hydrochlorination of glycerin with reduced volatile chlorinated hydrocarbon by-products and chloracetone levels GK, GLI2, CHLSN ALOX15 1206/4885TSHR 3067/4885ALDH1A1 701/4885

“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.