SCHEMBL17075263

SCHEMBL17075263

C=CC(OC[C@H](O)[C@H](O)CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.46
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.33
GSR P00390 1/20 0.32
TRPA1 O75762 4/20 0.32
LMNA P02545 1/20 0.32
TACR1 P25103 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6931929 0.85 CASR (0.49) CASRALDH1A1CYP2C19GSRLMNA
SCHEMBL7158465 0.79 CASR (0.40) CASRALDH1A1CYP2C19GSRTRPA1
SCHEMBL16617907 0.77 CASR (0.48) CASRALDH1A1CYP2C19LMNAKDM4E
SCHEMBL27978773 0.77 CASR (0.41) CASRALDH1A1CYP2C19LMNAKDM4E
SCHEMBL7778374 0.77 CASR (0.37) CASRALDH1A1CYP2C19TRPA1LMNA
Glycerin SCHEMBL6931931 0.75 CASR (0.38) CASRALDH1A1CYP2C19GSRTRPA1
SCHEMBL6574077 0.72 GABBR2 (0.42) CASRCYP2C19CYP1A2CYP2D6PKM
SCHEMBL1906076 0.72 MEN1 (0.44) CASRALDH1A1CYP2C19KDM4ECYP2D6
SCHEMBL20241505 0.72 CASR (0.37) CASRALDH1A1CYP2C19LMNAKDM4E
SCHEMBL11434362 0.72 CASR (0.40) CASRALDH1A1CYP2C19LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10966909-B2 Resin composites for use in dental preventive and restorative applications ADA FOUNDATION (US) 2021-04-06 US disclosed
US-20200297587-A1 RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS ADA FOUNDATION (US) 2020-09-24 US disclosed
US-10675224-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems ADA FOUNDATION (US) 2020-06-09 US disclosed
US-20190209438-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS ADA FOUNDATION (US) 2019-07-11 US disclosed
US-10231906-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems ADA FOUNDATION (US) 2019-03-19 US disclosed
EP-3270870-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE RESINS, RESIN MONOMERS, AND RESIN COMPOSITES FOR USE IN DENTAL APPLICATIONS ADA FOUNDATION (US) 2018-01-24 EP disclosed
US-20170049666-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS ADA FOUND (US) 2017-02-23 US disclosed
US-9572753-B2 Enzymatically and hydrolytically stable resins, resin monomers, and resin composites for use in dental preventive and restorative applications ADA FOUNDATION (US) 2017-02-21 US disclosed
WO-2016160299-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE RESINS, RESIN MONOMERS, AND RESIN COMPOSITES FOR USE IN DENTAL APPLICATIONS ADA FOUNDATION (US) 2016-10-06 WO disclosed
US-20150257986-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE RESINS, RESIN MONOMERS, AND RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS ADA FOUNDATION 2015-09-17 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 (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-20190209438-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS GGH, DNPH1, BCHE CASR 3577/4885ALDH1A1 321/4885CYP2C19 621/4885
US-10675224-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems GGH, DNPH1, BCHE CASR 3577/4885ALDH1A1 321/4885CYP2C19 621/4885
US-10966909-B2 Resin composites for use in dental preventive and restorative applications SUV39H2, CBX3, SUV39H1 CASR 3168/4885ALDH1A1 1332/4885CYP2C19 2145/4885
US-20170049666-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS GGH, DNPH1, BCHE CASR 3577/4885ALDH1A1 321/4885CYP2C19 621/4885
US-20200297587-A1 RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS SUV39H2, CBX3, SUV39H1 CASR 3168/4885ALDH1A1 1332/4885CYP2C19 2145/4885
US-20150257986-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE RESINS, RESIN MONOMERS, AND RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS ESD, JMJD6, DNPH1 CASR 3421/4885ALDH1A1 377/4885CYP2C19 821/4885
US-10231906-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems GGH, DNPH1, BCHE CASR 3577/4885ALDH1A1 321/4885CYP2C19 621/4885

“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.