SCHEMBL20094882

SCHEMBL20094882

C=C(C)C(=O)OCCCCOC(=O)NCCC1C2CCC1C(CNC(=O)OCCCCOC(=O)C(=C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ACHE P22303 13/20 0.35
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL20094925 0.99 TSHR (0.36) TSHRACHEHRH4HRH3POLB
SCHEMBL19847431 0.96 THRB (0.34) TSHRACHEHRH4HRH3THRB
SCHEMBL20094880 0.93 THRB (0.37) ACHETHRB
SCHEMBL21657651 0.91 TSHR (0.40) TSHRACHEPOLBAPEX1HTT
SCHEMBL20094923 0.91 TSHR (0.40) TSHRACHEPOLBAPEX1HTT
SCHEMBL20094879 0.90 TSHR (0.40) TSHRACHEPOLBAPEX1HTT
SCHEMBL20094934 0.89
SCHEMBL19847426 0.87 THRB (0.33) THRB
SCHEMBL20094913 0.86 THRB (0.37) TSHRTHRB
SCHEMBL21657339 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-11311462-B2 Adhesive monomers for dental materials MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS MITSUI CHEMICALS, INC. (JP) 2021-12-09 US disclosed
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2020-01-30 US disclosed
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2019-11-12 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 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-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ACHE 2879/4885HRH4 2677/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 TSHR 861/4885ACHE 2751/4885HRH4 7/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885ACHE 2744/4885HRH4 124/4885
US-20210378919-A1 DENTAL POLYFUNCTIONAL MONOMERS AND DENTAL HYDROXYL GROUP-CONTAINING MONOMERS PAM, CAD, FHIT TSHR 2948/4885ACHE 2744/4885HRH4 124/4885
US-11311462-B2 Adhesive monomers for dental materials COL1A1, CDH1, GJA1 TSHR 4250/4885ACHE 1757/4885HRH4 1846/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ACHE 2879/4885HRH4 2677/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 TSHR 861/4885ACHE 2751/4885HRH4 7/4885

“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.