SCHEMBL16623956

SCHEMBL16623956

C=C(C)C(=O)OCCOC(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 5/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 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
SCHEMBL16623995 0.85 THRB (0.38) THRBGAAHTTTSHRALDH1A1
SCHEMBL7510697 0.82 GAA (0.44) GAAHTTTSHRALDH1A1KMT2A
SCHEMBL16623955 0.82 GAA (0.35) THRBGAAHTTTSHRALDH1A1
SCHEMBL16623964 0.81 TSHR (0.41) THRBGAAHTTTSHRALDH1A1
Hydrochloric Acid SCHEMBL8777405 0.81 GAA (0.47) GAAHTTTSHRALDH1A1KMT2A
SCHEMBL12109590 0.80 ALDH1A1 (0.40) THRBGAAHTTTSHRALDH1A1
SCHEMBL671479 0.79 THRB (0.50) THRBHTTTSHRALDH1A1CA1
SCHEMBL3765199 0.77 GAA (0.50) GAAHTTTSHRALDH1A1KMT2A
SCHEMBL8849326 0.76 THRB (0.38) THRBGAAHTTTSHRALDH1A1
SCHEMBL16626786 0.76 THRB (0.39) THRBTSHRALDH1A1CA1CA2

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 THRB 2570/4885GAA 3472/4885HTT 736/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR THRB 2576/4885GAA 2587/4885HTT 117/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR THRB 2576/4885GAA 2587/4885HTT 117/4885

“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.