SCHEMBL1131871

SCHEMBL1131871

CCC(CCCCl)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.68
MAPK1 P28482 1/20 0.68
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 4/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
SLC1A3 P43003 2/20 0.43
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41

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
SCHEMBL4142302 0.91 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL5480350 0.86 CA2 (0.57) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1131664 0.86
SCHEMBL14360108 0.85 CA2 (0.81) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10897254 0.85 CA2 (0.81) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL5508696 0.84 CHRM1 (0.70) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10902355 0.84 CA2 (0.46) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL14360381 0.83 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL14359878 0.83 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3
Ammonia Solution, Strong SCHEMBL28267146 0.83 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN claimed
CN-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN disclosed
CN-101084186-B Isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK 2011-05-11 CN disclosed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
CN-101084186-A Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK (JP) 2007-12-05 CN disclosed
EP-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 WO 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-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 CA2 3806/4885MAPK1 1000/4885CHRM1 3720/4885

“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.