SCHEMBL21033752

SCHEMBL21033752

C=CC(=O)OCCNC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
NPC1 O15118 4/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL151307 0.89 THRB (0.60) THRBTSHRHSD17B10MAPTL3MBTL1
SCHEMBL26373331 0.89 THRB (0.47) THRBNPC1USP2ALOX15TSHR
SCHEMBL23422530 0.86 THRB (0.56) THRBNPC1USP2ALOX15TSHR
SCHEMBL12866520 0.85 THRB (0.52) THRBNPC1MAPTCA12CA1
SCHEMBL13722220 0.84 POLB (0.49) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL13707208 0.84 THRB (0.53) THRBTSHRHSD17B10MAPTL3MBTL1
SCHEMBL21034810 0.83 CA12 (0.48) NPC1MAPTCA12CA1CA2
SCHEMBL23450561 0.83 THRB (0.56) THRBNPC1MAPK1HSD17B10MAPT
SCHEMBL25719876 0.83 THRB (0.47) THRBMAPK1MAPTCA12CA1
SCHEMBL13431250 0.82 MAPT (0.41) NPC1USP2ALOX15TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759298-B2 Photopolymerizable compositions including a urethane component and a monofunctional reactive diluent, articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-09-19 US disclosed
US-11759298-B2 Photopolymerizable compositions including a urethane component and a monofunctional reactive diluent, articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-09-19 US disclosed
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-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-20230129152-A1 Compounds Comprising Perfluorinated Group, Photoinitiator Group, and Amide Linking Group 3M INNOVATIVE PROPERTIES COMPANY 2023-04-27 US disclosed
US-20230129152-A1 Compounds Comprising Perfluorinated Group, Photoinitiator Group, and Amide Linking Group 3M INNOVATIVE PROPERTIES COMPANY 2023-04-27 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
WO-2021229331-A1 COMPOUNDS COMPRISING PERFLUORINATED GROUP, PHOTOINITIATOR GROUP, AND AMIDE LINKING GROUP 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-11-18 WO disclosed
WO-2021229547-A1 MULTILAYER OPTICAL FILMS COMPRISING AT LEAST ONE FLUORINATED (CO)POLYMER LAYER MADE USING A FLUORINATED PHOTOINITIATOR, AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-11-18 WO 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-20200362157-A1 PHOTOPOLYMERIZABLE COMPOSITIONS INCLUDING A URETHANE COMPONENT AND A MONOFUNCTIONAL REACTIVE DILUENT, ARTICLES, AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-11-19 US disclosed
US-20200332046-A1 PHOTOPOLYMERIZABLE COMPOSITIONS INCLUDING A POLYPROPYLENE OXIDE COMPONENT, ARTICLES, AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-10-22 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-2019103855-A1 PHOTOPOLYMERIZABLE COMPOSITIONS INCLUDING A URETHANE COMPONENT AND A MONOFUNCTIONAL REACTIVE DILUENT, ARTICLES, AND METHODS 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 (8 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 THRB 4266/4885NPC1 4751/4885USP2 3586/4885
US-20230129152-A1 Compounds Comprising Perfluorinated Group, Photoinitiator Group, and Amide Linking Group PFAS, AFF4, AFF1 THRB 1513/4885NPC1 3463/4885USP2 2247/4885
US-20200332046-A1 PHOTOPOLYMERIZABLE COMPOSITIONS INCLUDING A POLYPROPYLENE OXIDE COMPONENT, ARTICLES, AND METHODS HTR3D, UROD, PPOX THRB 3972/4885NPC1 4855/4885USP2 609/4885
US-20200362157-A1 PHOTOPOLYMERIZABLE COMPOSITIONS INCLUDING A URETHANE COMPONENT AND A MONOFUNCTIONAL REACTIVE DILUENT, ARTICLES, AND METHODS HTR3D, UROD, UGT1A3 THRB 4293/4885NPC1 4803/4885USP2 246/4885
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM THRB 4328/4885NPC1 4783/4885USP2 620/4885
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM THRB 4328/4885NPC1 4783/4885USP2 620/4885
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment ELL, PCNA, PAM THRB 4328/4885NPC1 4783/4885USP2 620/4885
US-11759298-B2 Photopolymerizable compositions including a urethane component and a monofunctional reactive diluent, articles, and methods HTR3D, UROD, UGT1A3 THRB 4293/4885NPC1 4803/4885USP2 246/4885

“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.