SCHEMBL1131497

SCHEMBL1131497

CCC(CC(=O)O)C(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
FFAR3 O14843 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5077882 0.82 SLC22A6 (0.45) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL678102 0.82 SLC22A6 (0.45) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL9059911 0.81 SLC22A6 (0.42) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL1572826 0.80 SMN1; SMN2 (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL27753421 0.79 SLC22A6 (0.43) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL27945267 0.79 SLC22A6 (0.43) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL17066267 0.78 TDP1 (0.42) SLC22A6FFAR3TDP1ALDH1A1GPR84
SCHEMBL18222806 0.78 MME (0.39) SLC22A6FFAR3TDP1ALDH1A1CACNA2D1
SCHEMBL5078846 0.78 SLC22A6 (0.43) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL10751531 0.76 TDP1 (0.40) SLC22A6FFAR3TDP1CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A6 2461/4885FFAR3 547/4885TDP1 2625/4885

“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.