SCHEMBL2553425

SCHEMBL2553425

C=C(C)C(=O)NN[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TGFBR1 P36897 1/20 0.49
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.42
LAP3 P28838 3/20 0.41
FOLH1 Q04609 6/20 0.40
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
MME P08473 1/20 0.39
LTA4H P09960 1/20 0.38
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL12481793 1.00 ALDH1A1 (0.52) ALDH1A1TGFBR1MEN1LMNAKMT2A
SCHEMBL5186755 0.81 TGFBR1 (0.67) ALDH1A1TGFBR1MAPTMMEGRN
SCHEMBL6242220 0.81 TGFBR1 (0.67) ALDH1A1TGFBR1MEN1LMNAKMT2A
SCHEMBL8032842 0.81 TGFBR1 (0.67) ALDH1A1TGFBR1MEN1LMNAKMT2A
SCHEMBL5186759 0.81 TGFBR1 (0.67) ALDH1A1TGFBR1MAPTMMEGRN
SCHEMBL27877720 0.81 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL30164504 0.81 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL30066898 0.80 TGFBR1 (0.50) ALDH1A1TGFBR1MAPTMMEGRN
SCHEMBL30211920 0.78 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL28875839 0.77 TGFBR1 (0.47) ALDH1A1TGFBR1MEN1KMT2AMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12329833-B2 Dental compositions SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2025-06-17 US disclosed
US-20250049644-A1 Dental Compositions SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2025-02-13 US disclosed
EP-4444250-A1 DENTAL COMPOSITIONS Solventum Intellectual Properties Company (US) 2024-10-16 EP disclosed
WO-2023105315-A1 DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-06-15 WO disclosed
EP-2726049-B1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE 3M INNOVATIVE PROPERTIES CO (US) 2022-08-17 EP disclosed
EP-2675422-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-30 EP disclosed
EP-2965742-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-09 EP disclosed
EP-2552380-B1 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2019-04-24 EP disclosed
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-17 US disclosed
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-12-15 US disclosed
US-20140099271-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-10 US disclosed
EP-2675421-A2 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER 3M Innovative Properties Company (US) 2013-12-25 EP disclosed
EP-2675422-A2 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M Innovative Properties Company (US) 2013-12-25 EP disclosed
US-20130316307-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-28 US disclosed
EP-2552380-A2 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS 3M Innovative Properties Company (US) 2013-02-06 EP disclosed
US-20130012614-A1 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-10 US disclosed
WO-2013003396-A2 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-03 WO disclosed
WO-2012112350-A2 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-08-23 WO disclosed
WO-2012112321-A2 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-08-23 WO disclosed
WO-2011126647-A2 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-10-13 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 (7 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-20250049644-A1 Dental Compositions ARCN1, EEF1D, EBP ALDH1A1 1021/4885TGFBR1 2683/4885MEN1 3821/4885
US-12329833-B2 Dental compositions ARCN1, EEF1D, EBP ALDH1A1 1021/4885TGFBR1 2683/4885MEN1 3821/4885
US-20140099271-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE MMAB, ELOVL5, ELOVL1 ALDH1A1 1066/4885TGFBR1 4493/4885MEN1 3593/4885
US-20130012614-A1 POLYMERIZABLE ISOCYANURATE MONOMERS AND DENTAL COMPOSITIONS ETV6, PCMT1, MLLT1 ALDH1A1 1402/4885TGFBR1 3413/4885MEN1 3082/4885
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE MMAB, ELOVL5, ELOVL1 ALDH1A1 1066/4885TGFBR1 4493/4885MEN1 3593/4885
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate MMAB, ELOVL5, ELOVL1 ALDH1A1 1066/4885TGFBR1 4493/4885MEN1 3593/4885
US-20130316307-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT RXRA, RXRG, NR4A1 ALDH1A1 1884/4885TGFBR1 899/4885MEN1 2319/4885

“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.