SCHEMBL16623966

SCHEMBL16623966

C=CC(=O)NCCOC(=O)NC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.35
EPHX1 P07099 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MAPK8 P45983 1/20 0.32
TGM2 P21980 4/20 0.32
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16623965 0.82 EPHX1 (0.39) KDM4EGAAKMT2ATSHREPHX1
SCHEMBL16623954 0.80 KDM4E (0.39) KDM4EGAAKMT2ATSHREPHX1
SCHEMBL1050026 0.78 GAA (0.47) KDM4EGAAKMT2ATSHRMAPK8
SCHEMBL13227481 0.74 ACHE (0.42) KDM4EGAAKMT2ATSHREPHX1
SCHEMBL26083144 0.73 GAA (0.39) KDM4EGAAKMT2ATSHREPHX1
SCHEMBL16623953 0.72 KDM4E (0.41) KDM4EGAAKMT2ATSHREPHX1
SCHEMBL16623952 0.72 GAA (0.35) GAAKMT2ATSHREPHX1ALDH1A1
SCHEMBL20355693 0.71 GAA (0.49) KDM4EGAAKMT2ATSHRMAPK8
Hydrochloric Acid SCHEMBL6558032 0.70 ALDH1A1 (0.37) KDM4EGAAKMT2ATSHRZDHHC20
SCHEMBL16626782 0.69 TSHR (0.34) TSHRALDH1A1

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 KDM4E 998/4885GAA 3472/4885KMT2A 3260/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR KDM4E 1577/4885GAA 2587/4885KMT2A 2852/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR KDM4E 1577/4885GAA 2587/4885KMT2A 2852/4885

“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.