SCHEMBL1131832

SCHEMBL1131832

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CACNA2D1 P54289 2/20 0.35
ADRA1A P35348 2/20 0.35
CYP2C19 P33261 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PGD P52209 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 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
SCHEMBL1572820 0.79 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL23913764 0.79 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL20711453 0.79 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL8372729 0.75 TSHR (0.39) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL249850 0.75 TSHR (0.39) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL15220069 0.75 SLC22A6 (0.38) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL11403048 0.75 CACNA2D1 (0.40) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL11232793 0.75 ALDH1A1 (0.36) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL1300987 0.73 TSHR (0.39) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19
SCHEMBL5740045 0.73 ADRA1A (0.44) SLC22A6TDP1CACNA2D1ADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2461/4885TDP1 2625/4885CACNA2D1 4845/4885

“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.