SCHEMBL16623993

SCHEMBL16623993

C=C(C)C(=O)OCCNC(=O)SC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL16626782 0.83 TSHR (0.34) THRBTSHRALDH1A1
SCHEMBL16623955 0.79 GAA (0.35) THRBTSHRALDH1A1KDM4EGAA
SCHEMBL16623953 0.79 KDM4E (0.41) THRBTSHRALDH1A1KDM4EGAA
SCHEMBL26004535 0.71 THRB (0.33) THRBTSHRALDH1A1
SCHEMBL16623956 0.70 THRB (0.41) THRBTSHRALDH1A1GAA
SCHEMBL16623965 0.69 EPHX1 (0.39) TSHRALDH1A1KDM4EGAA
SCHEMBL16626786 0.68 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL17483781 0.68 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL16623995 0.68 THRB (0.38) THRBTSHRALDH1A1GAA
SCHEMBL19519065 0.68 THRB (0.33) THRBTSHRALDH1A1

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
EP-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed
US-9931280-B2 Dental composite compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2018-04-03 US disclosed
WO-2015051217-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY INTERNATIONAL INC. (US) 2015-04-09 WO disclosed
US-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY SIRONA INC. 2015-04-09 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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE VCL, HSPA4L, GPX4 THRB 2570/4885TSHR 3714/4885ALDH1A1 2471/4885

“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.