SCHEMBL16623997

SCHEMBL16623997

C=CC(=O)OCC(O)CN(CC(O)COC(=O)C=C)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL21891645 0.83 TSHR (0.35) TSHR
SCHEMBL16623949 0.82 TSHR (0.39) TSHRALDH1A1ALOX15
SCHEMBL16623950 0.78 TSHR (0.39) TSHRALDH1A1
SCHEMBL12332936 0.71 TSHR (0.37) TSHRALDH1A1
SCHEMBL8389036 0.70 TSHR (0.41) TSHRHPGDALDH1A1
SCHEMBL1252570 0.70 TSHR (0.55) TSHRHPGDALDH1A1
SCHEMBL8389037 0.69 TSHR (0.41) TSHRHPGD
Iodide SCHEMBL1254864 0.69 TSHR (0.53) TSHRHPGDALDH1A1
Fluoride SCHEMBL1254145 0.69 TSHR (0.53) TSHRHPGDALDH1A1
Hydrochloric Acid SCHEMBL1252915 0.69 TSHR (0.53) TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2020-09-22 US disclosed
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-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS DENTSPLY SIRONA INC (US) 2019-07-25 US 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 (3 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 TSHR 3714/4885HPGD 419/4885ALDH1A1 2471/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR TSHR 2671/4885HPGD 320/4885ALDH1A1 1551/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR TSHR 2671/4885HPGD 320/4885ALDH1A1 1551/4885

“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.