SCHEMBL16623952

SCHEMBL16623952

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCHE P06276 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL69450 0.90 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19518768 0.88 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16623955 0.82 GAA (0.35) GAAHTTTSHRALDH1A1THRB
SCHEMBL17884347 0.82 TSHR (0.40) GAATSHRHPGDALDH1A1CYP3A4
SCHEMBL16623964 0.82 TSHR (0.41) GAAHTTTSHRHPGDALDH1A1
SCHEMBL24136469 0.81 MEN1 (0.41) GAAHTTTSHRALDH1A1MEN1
SCHEMBL16623954 0.80 KDM4E (0.39) GAATSHRHPGDALDH1A1TP53
SCHEMBL13714831 0.80 TSHR (0.43) GAATSHRHPGDALDH1A1TP53
SCHEMBL16626782 0.79 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24372232 0.78 BCHE (0.49) GAAHTTALDH1A1MEN1MAPT

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
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 (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 GAA 3472/4885HTT 736/4885TSHR 3714/4885

“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.