SCHEMBL21034810

SCHEMBL21034810

CC(C)(O)C(=O)c1ccc(OCCOC(=O)NCCCCCCNC(=O)OCCOc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL21679591 0.95 CA12 (0.45) CA12CA1CA2CA9NPC1
SCHEMBL21034809 0.95 CA12 (0.45) CA12CA1CA2CA9NPC1
SCHEMBL21034803 0.90 CA12 (0.41) CA12CA1CA2CA9NPC1
SCHEMBL21679592 0.87 CA12 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL13871217 0.86 POLB (0.41) CA12CA1CA2CA9NPC1
SCHEMBL13722220 0.83 POLB (0.49) CA12CA1CA2CA9NPC1
SCHEMBL21033752 0.83 THRB (0.49) CA12CA1CA2CA9NPC1
SCHEMBL13431250 0.83 MAPT (0.41) CA12CA1CA2CA9NPC1
SCHEMBL13431253 0.83 MAPT (0.40) CA12CA1CA2CA9NPC1
SCHEMBL838367 0.81 MAPT (0.44) NPC1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-05-25 US disclosed
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-21 US disclosed
US-20210386522-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M INNOVATIVE PROPERTIES COMPANY 2021-12-16 US disclosed
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-08-05 US disclosed
US-20210186820-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-06-24 US disclosed
US-20200048392-A1 PHYSICALLY CROSSLINKABLE (METH)ACRYLATE COPOLYMER COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2020-02-13 US disclosed
WO-2019104079-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-31 WO disclosed
WO-2019104072-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-31 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 (4 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-20210186820-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS AASDHPPT, ELL, APEH CA12 4243/4885CA1 2326/4885CA2 1546/4885
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM CA12 4609/4885CA1 3370/4885CA2 3304/4885
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM CA12 4609/4885CA1 3370/4885CA2 3304/4885
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment ELL, PCNA, PAM CA12 4609/4885CA1 3370/4885CA2 3304/4885

“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.