SCHEMBL14480342

SCHEMBL14480342

[CH2]COC(=O)NCCCCCCNC(=O)OC[CH2]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
EPHX1 P07099 1/20 0.48
TGM2 P21980 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11780046 0.90 EPHX1 (0.66) ACHEEPHX1
SCHEMBL5077588 0.90 EPHX1 (0.66) ACHEEPHX1
SCHEMBL25272627 0.90 EPHX1 (0.66) ACHEEPHX1
SCHEMBL28422782 0.90 EPHX1 (0.66) ACHEEPHX1
SCHEMBL1416152 0.86 ACHE (0.50) ACHEEPHX1TDP1
SCHEMBL1160484 0.85 ACHE (0.70) ACHEEPHX1
SCHEMBL4245704 0.81 ACHE (0.40) ACHEEPHX1TGM2KDM4EMAPK1
SCHEMBL1416054 0.81
SCHEMBL1415970 0.79
SCHEMBL7790876 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond KABUSHIKI KAISHA SHOFU (JP) 2024-01-09 US disclosed
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND KABUSHIKI KAISHA SHOFU (JP) 2021-12-23 US disclosed
US-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2021-04-29 US disclosed
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same KABUSHIKI KAISHA SHOFU (JP) 2021-04-13 US disclosed
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2019-10-03 US disclosed
US-9237990-B2 Polymerizable isocyanurate monomers and dental compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-19 US disclosed
US-20130012614-A1 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-10 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 (6 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-20130012614-A1 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS ETV6, PCMT1, MLLT1 ACHE 3256/4885EPHX1 1016/4885TGM2 229/4885
US-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A ACHE 3391/4885EPHX1 1853/4885TGM2 1425/4885
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond CAD, DCLRE1A, STIM1 ACHE 2993/4885EPHX1 2796/4885TGM2 1486/4885
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A ACHE 3391/4885EPHX1 1853/4885TGM2 1425/4885
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A ACHE 3391/4885EPHX1 1853/4885TGM2 1425/4885
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND CAD, DCLRE1A, STIM1 ACHE 2993/4885EPHX1 2796/4885TGM2 1486/4885

“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.