SCHEMBL12764449

SCHEMBL12764449

C=CC(=O)N1CCN(C(=O)C=C)CCN(C(=O)C=C)CCN(C(=O)C=C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TET3 O43151 4/20 0.47
KMT2A Q03164 4/20 0.47
FBXL19 Q6PCT2 4/20 0.47
CXXC5 Q7LFL8 4/20 0.47
KDM2B Q8NHM5 4/20 0.47
CXXC4 Q9H2H0 4/20 0.47
KDM2A Q9Y2K7 4/20 0.47
TET1 Q8NFU7 3/20 0.47
MAPK1 P28482 1/20 0.40
TEAD3 Q99594 2/20 0.40
TEAD1 P28347 2/20 0.40
LMNA P02545 1/20 0.39
ACHE P22303 3/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
FGFR4 P22455 1/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL237862 1.00
SCHEMBL20547259 1.00 TET3 (0.47) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL167151 1.00 TET3 (0.47) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL505654 0.91 ALDH1A1 (0.48) TET3KMT2AFBXL19CXXC5KDM2B
Vinyl Chloride SCHEMBL11122339 0.91 TET3 (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL1591923 0.91
SCHEMBL149678 0.91
SCHEMBL25231611 0.89 ALDH1A1 (0.55) TET3KMT2AFBXL19CXXC5KDM2B
Acrylamide SCHEMBL3714624 0.89 ALDH1A1 (0.58) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL10658257 0.89 ALDH1A1 (0.55) TET3KMT2AFBXL19CXXC5KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289483-B1 Use of polymerisable macrocyclic polyethers and macrocyclic heteroanalogous polyethers in dental materials IVOCLAR VIVADENT AG (LI) 2017-03-08 EP disclosed
US-9138382-B2 Use of polymerizable macrocyclic polyethers and macrocyclic heteroanalogous polyethers in dental materials IVOCLAR VIVADENT AG (LI) 2015-09-22 US disclosed
US-9138382-B2 Use of polymerizable macrocyclic polyethers and macrocyclic heteroanalogous polyethers in dental materials IVOCLAR VIVADENT AG (LI) 2015-09-22 US disclosed
US-20110054066-A1 USE OF POLYMERIZABLE MACROCYCLIC POLYETHERS AND MACROCYCLIC HETEROANALOGOUS POLYETHERS IN DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2011-03-03 US disclosed
US-20110054066-A1 USE OF POLYMERIZABLE MACROCYCLIC POLYETHERS AND MACROCYCLIC HETEROANALOGOUS POLYETHERS IN DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2011-03-03 US disclosed
EP-2289483-A1 Use of polymerisable macrocyclic polyethers and macrocyclic heteroanalogous polyethers in dental materials Ivoclar Vivadent AG (LI) 2011-03-02 EP 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-20110054066-A1 USE OF POLYMERIZABLE MACROCYCLIC POLYETHERS AND MACROCYCLIC HETEROANALOGOUS POLYETHERS IN DENTAL MATERIALS CDYL, CDYL2, PICALM TET3 1912/4885KMT2A 1794/4885FBXL19 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.