SCHEMBL17075233

SCHEMBL17075233

C=Cc1ccc(COCCOCCOCCOCc2ccc(C=C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.37
NAAA Q02083 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
TEAD3 Q99594 1/20 0.32
APP P05067 2/20 0.32
LTA4H P09960 1/20 0.32
IDO1 P14902 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL1140820 1.00 ALDH1A1 (0.48) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL18832287 0.98 ALDH1A1 (0.50) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL13955822 0.94 ALDH1A1 (0.42) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL16846535 0.91 ALDH1A1 (0.39) ALDH1A1NAAACHRNB2CHRNB4CHRNA3
SCHEMBL21911247 0.91 ALDH1A1 (0.39) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL31015805 0.91 ALDH1A1 (0.39) ALDH1A1NAAACHRNB2CHRNB4CHRNA3
SCHEMBL17849361 0.91 ALDH1A1 (0.39) ALDH1A1NAAACHRNB2CHRNB4CHRNA3
SCHEMBL10013353 0.91 MEN1 (0.39) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL8142208 0.91 ALDH1A1 (0.39) ALDH1A1TSHRNAAACHRNB2CHRNB4
SCHEMBL14157517 0.91 ALDH1A1 (0.39) ALDH1A1NAAACHRNB2CHRNB4CHRNA3

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 9 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
EP-3168616-A1 OPTICALLY ACTIVE CROSS-LINKED POLYMER PreSens Precision Sensing GmbH (DE) 2017-05-17 EP 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
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
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
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 (5 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 ALDH1A1 321/4885TSHR 4797/4885NAAA 875/4885
US-10675224-B2 Enzymatically and hydrolytically stable dental preventive and restorative systems GGH, DNPH1, BCHE ALDH1A1 321/4885TSHR 4797/4885NAAA 875/4885
US-10966909-B2 Resin composites for use in dental preventive and restorative applications SUV39H2, CBX3, SUV39H1 ALDH1A1 1332/4885TSHR 4233/4885NAAA 4142/4885
US-20200297587-A1 RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS SUV39H2, CBX3, SUV39H1 ALDH1A1 1332/4885TSHR 4233/4885NAAA 4142/4885
US-20150257986-A1 ENZYMATICALLY AND HYDROLYTICALLY STABLE RESINS, RESIN MONOMERS, AND RESIN COMPOSITES FOR USE IN DENTAL PREVENTIVE AND RESTORATIVE APPLICATIONS ESD, JMJD6, DNPH1 ALDH1A1 377/4885TSHR 4610/4885NAAA 556/4885

“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.