SCHEMBL16623965

SCHEMBL16623965

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.35
MAPK8 P45983 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16623966 0.82 KDM4E (0.39) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL16623953 0.80 KDM4E (0.41) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL7508932 0.78 GAA (0.47) GAAKDM4EKMT2AMAPK8ALDH1A1
Hydrochloric Acid SCHEMBL6558029 0.76 GAA (0.49) GAAKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL26083144 0.75 GAA (0.39) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL13227481 0.74 ACHE (0.42) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL16623955 0.72 GAA (0.35) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL16623954 0.72 KDM4E (0.39) EPHX1GAAKDM4EKMT2ATSHR
SCHEMBL20355693 0.71 GAA (0.49) GAAKDM4EKMT2ATSHRMAPK8
SCHEMBL13172679 0.69 GAA (0.53) GAAKDM4EKMT2AMAPK8ALDH1A1

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
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 EPHX1 2576/4885GAA 3472/4885KDM4E 998/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR EPHX1 3751/4885GAA 2587/4885KDM4E 1577/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR EPHX1 3751/4885GAA 2587/4885KDM4E 1577/4885

“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.