SCHEMBL3340504

SCHEMBL3340504

C=C(C)C(=O)NCCCCCCOCCP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.42
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL19477967 0.94 CYP2C19 (0.40) TLR2CYP2C19EPHX2KDM4EMAPK1
SCHEMBL19472457 0.87 CYP2C19 (0.36) TLR2CYP2C19EPHX2KDM4EMAPK1
SCHEMBL19472458 0.86 TLR2 (0.37) TLR2S1PR2S1PR4S1PR1S1PR3
SCHEMBL24495946 0.86 CYP2C19 (0.42) CYP2C19EPHX2KDM4EMAPK1HIF1A
SCHEMBL7645968 0.84 S1PR2 (0.44) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL21383587 0.84 S1PR2 (0.44) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL5052645 0.84 S1PR2 (0.44) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL13862877 0.84 CYP2C19 (0.41) CYP2C19EPHX2KDM4EMAPK1HIF1A
SCHEMBL3346379 0.83 CA12 (0.44) TLR2CYP2C19EPHX2CA12CA1
SCHEMBL5053958 0.82 S1PR2 (0.42) KDM4EMAPK1HIF1AS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
EP-1437999-B1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2006-12-20 EP disclosed
US-20040266906-A1 Hydrolysis stable self-etching,self-priming adhesive KLEE JOACHIM (DE) 2004-12-30 US disclosed
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 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 (2 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-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 TLR2 3282/4885CYP2C19 3294/4885EPHX2 118/4885
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 TLR2 3282/4885CYP2C19 3294/4885EPHX2 118/4885

“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.