SCHEMBL20094970

SCHEMBL20094970

C=C(C)C(=O)OCC(C)OC(=O)NCC1CC2CCC1C2CNC(=O)OC(C)COC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.30
CTSK P43235 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
SCHEMBL20094914 0.96 TSHR (0.38) TSHR
SCHEMBL19847421 0.91 TSHR (0.38) TSHR
SCHEMBL20094891 0.90 TSHR (0.36) TSHRALDH1A1
SCHEMBL20094971 0.87 TSHR (0.34) TSHR
SCHEMBL20094911 0.84 TSHR (0.41) TSHRCTSK
SCHEMBL20094913 0.83 THRB (0.37) TSHRALDH1A1
SCHEMBL20094922 0.83 TSHR (0.32) TSHR
SCHEMBL18123473 0.83 TSHR (0.42) TSHRALDH1A1CTSK
SCHEMBL20094923 0.81 TSHR (0.40) TSHRALDH1A1
SCHEMBL21657651 0.81 TSHR (0.40) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 4160/4885ALDH1A1 302/4885CTSK 2338/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 TSHR 861/4885ALDH1A1 394/4885CTSK 4000/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 TSHR 4160/4885ALDH1A1 302/4885CTSK 2338/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 TSHR 861/4885ALDH1A1 394/4885CTSK 4000/4885

“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.