SCHEMBL23976089

SCHEMBL23976089

C=C(C)C(=O)OCCNC(=O)OCC(COC(=O)NCCOC(=O)C(=C)C)OC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
THRB P10828 1/20 0.40
TLR2 O60603 5/20 0.37
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14368850 0.98 TSHR (0.45) TSHRTHRBTLR2ACHELMNA
SCHEMBL14368845 0.95 TSHR (0.47) TSHRTHRBTLR2ACHELMNA
SCHEMBL15297233 0.93 TSHR (0.39) TSHRTHRBTLR2
SCHEMBL21672075 0.90 TLR2 (0.37) TSHRTHRBTLR2ACHEALOX15
SCHEMBL13774628 0.89 TSHR (0.36) TSHRTHRBTLR2LMNAMAPK1
SCHEMBL23976088 0.87 TSHR (0.38) TSHRTHRBTLR2LMNAMAPK1
SCHEMBL21671280 0.87 TLR2 (0.41) TSHRTHRBTLR2
SCHEMBL14368844 0.87 TSHR (0.49) TSHRTHRBACHELMNAMAPK1
SCHEMBL15223326 0.86 TSHR (0.40) TSHRTHRBTLR2ALDH1A1SMN1; SMN2
SCHEMBL21255712 0.86 THRB (0.45) TSHRTHRBACHELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-11-04 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 (1 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-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL RAD51, AP1M1, MNS1 TSHR 4111/4885THRB 2360/4885TLR2 1069/4885

“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.