SCHEMBL20094879

SCHEMBL20094879

C=C(C)C(=O)OCCCCOC(=O)NCC1C2CCC1C(CNC(=O)OCCOC(=O)C(=C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 7/20 0.31
ALDH1A1 P00352 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
SCHEMBL20094923 0.99 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21657651 0.99 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20094913 0.96 THRB (0.37) TSHRTHRBALDH1A1
SCHEMBL20094889 0.93 THRB (0.40) TSHRTHRBALDH1A1
SCHEMBL20094925 0.91 TSHR (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20094882 0.90 TSHR (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21555493 0.89 THRB (0.32) THRB
SCHEMBL19847431 0.87 THRB (0.34) TSHRTHRBACHEALDH1A1
SCHEMBL20094880 0.84 THRB (0.37) THRBACHE
SCHEMBL19041414 0.82 TSHR (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 TSHR 861/4885THRB 639/4885POLB 2954/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 TSHR 861/4885THRB 639/4885POLB 2954/4885

“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.