SCHEMBL1132328

SCHEMBL1132328

CC(C)CCC(O)C(O)C(C)N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
TRPA1 O75762 1/20 0.44
SPHK1 Q9NYA1 1/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31

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
SCHEMBL27730451 0.79 TRPV1 (0.44) TRPV1TRPA1SPHK1
SCHEMBL8059255 0.78 TRPV1 (0.31) TRPV1TRPA1
SCHEMBL106523 0.76 TSHR (0.38) TRPV1TRPA1SPHK1SLC1A3SLC1A2
SCHEMBL9818536 0.76 TSHR (0.43) TRPV1TRPA1SPHK1SLC1A3SLC1A2
SCHEMBL1132299 0.76 TSHR (0.43) TRPV1TRPA1SPHK1SLC1A3SLC1A2
SCHEMBL1132183 0.75 SPHK1 (0.61) TRPV1TRPA1SPHK1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7288122 0.75 TRPV1 (0.32) TRPV1TRPA1
SCHEMBL17464897 0.74 TSHR (0.38) TRPA1
SCHEMBL1132585 0.73 SPHK1 (0.72) TRPV1TRPA1SPHK1
SCHEMBL1132029 0.72

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 TRPV1 2345/4885TRPA1 956/4885SPHK1 4404/4885

“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.