SCHEMBL16623964

SCHEMBL16623964

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 2/20 0.36

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
SCHEMBL1053833 0.82 GAA (0.44) TSHRALDH1A1HSD17B10GAAHTT
SCHEMBL16623952 0.82 GAA (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16623956 0.81 THRB (0.41) TSHRALDH1A1GAAHTTTHRB
SCHEMBL12109590 0.80 ALDH1A1 (0.40) TSHRALDH1A1GAAHTTTHRB
SCHEMBL3765199 0.77 GAA (0.50) TSHRALDH1A1HSD17B10GAAHTT
SCHEMBL8849439 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14885821 0.75 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69828 0.74 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69433 0.74 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21444950 0.74 GAA (0.41) TSHRALDH1A1HSD17B10GAAHTT

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 5 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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY SIRONA INC. 2015-04-09 US disclosed
WO-2015051217-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY INTERNATIONAL INC. (US) 2015-04-09 WO 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 3714/4885ALDH1A1 2471/4885TP53 4575/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR TSHR 2671/4885ALDH1A1 1551/4885TP53 3155/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR TSHR 2671/4885ALDH1A1 1551/4885TP53 3155/4885

“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.