SCHEMBL17075274

SCHEMBL17075274

C=Cc1ccccc1CN(CC(=O)O)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ ACR P10323 1/20 0.32

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
SCHEMBL847204 0.88 TDP1 (0.44) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL10985490 0.84 TDP1 (0.41) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL10984140 0.82 ALOX15 (0.35) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL10984905 0.80 ALOX15 (0.38) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL10985506 0.75 ALOX15 (0.36) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL10984657 0.75 SMPD2 (0.43) KMT2AKEAP1
SCHEMBL10991548 0.74 BCHE (0.34) TDP1KMT2A
SCHEMBL10985617 0.73 SMPD2 (0.39) CYP2C19KEAP1
SCHEMBL641321 0.73 TDP1 (0.49) TSHRALOX15CYP2C19HIF1ATDP1
SCHEMBL18493237 0.73 ALDH1A1 (0.44) TSHRCYP2C19TDP1KMT2ASLC6A2

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-10675224-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems ADA FOUNDATION (US) 2020-06-09 — — US claimed
US-20190209438-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS ADA FOUNDATION (US) 2019-07-11 — — US claimed
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 claimed
US-20170049666-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS ADA FOUND (US) 2017-02-23 — — US claimed
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 claimed
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 claimed
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 claimed
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 TSHR 4797/4885ALOX15 871/4885CYP2C19 621/4885
US-10675224-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems GGH, DNPH1, BCHE TSHR 4797/4885ALOX15 871/4885CYP2C19 621/4885
US-10966909-B2 Resin composites for use in dental preventive and restorative applications SUV39H2, CBX3, SUV39H1 TSHR 4233/4885ALOX15 1307/4885CYP2C19 2145/4885
US-20170049666-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE DENTAL PREVENTIVE AND RESTORATIVE SYSTEMS GGH, DNPH1, BCHE TSHR 4797/4885ALOX15 871/4885CYP2C19 621/4885
US-20200297587-A1 RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS SUV39H2, CBX3, SUV39H1 TSHR 4233/4885ALOX15 1307/4885CYP2C19 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 TSHR 4610/4885ALOX15 614/4885CYP2C19 821/4885
US-10231906-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems GGH, DNPH1, BCHE TSHR 4797/4885ALOX15 871/4885CYP2C19 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.

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