SCHEMBL1132585

SCHEMBL1132585

CCCCCC(O)C(O)C(C)N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.72
TRPV1 Q8NER1 1/20 0.56
TRPA1 O75762 1/20 0.56
CYP2D6 P10635 2/20 0.55
TP53 P04637 2/20 0.55
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CETP P11597 1/20 0.55
HTT P42858 1/20 0.55
UBE2N P61088 1/20 0.55
OPRM1 P35372 1/20 0.52
CSNK1E P49674 1/20 0.43

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
SCHEMBL15941395 0.98 SPHK1 (0.76) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL1132183 0.93 SPHK1 (0.61) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL3365704 0.86 SPHK1 (0.95) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6865655 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
Xetoaminol C SCHEMBL3190206 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6863016 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5276312 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5268271 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL5275118 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53
SCHEMBL6865653 0.84 SPHK1 (1.00) SPHK1TRPV1TRPA1CYP2D6TP53

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 5 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
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 SPHK1 4404/4885TRPV1 2345/4885TRPA1 956/4885

“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.