SCHEMBL16623953

SCHEMBL16623953

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.39
EPHX2 P34913 6/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK8 P45983 1/20 0.32
EPHX1 P07099 3/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL19518915 0.88 EPHX2 (0.35) KDM4EGAAKMT2AEPHX2THRB
SCHEMBL12705811 0.84 GAA (0.39) GAAKMT2AMEN1
SCHEMBL16623954 0.82 KDM4E (0.39) KDM4EGAAKMT2AEPHX2THRB
SCHEMBL17884349 0.82 TSHR (0.47) EPHX2TSHREPHX1
SCHEMBL16623965 0.80 EPHX1 (0.39) KDM4EGAAKMT2ATSHRALDH1A1
SCHEMBL16623955 0.80 GAA (0.35) KDM4EGAAKMT2ATHRBTSHR
SCHEMBL16623993 0.79 THRB (0.33) KDM4EGAATHRBTSHRALDH1A1
SCHEMBL1087327 0.78 EPHX2 (0.57) KDM4EKMT2AEPHX2ALDH1A1EPHX1
SCHEMBL4410954 0.74 EPHX1 (0.51) KDM4EGAAEPHX2ALDH1A1EPHX1
SCHEMBL2195083 0.74 THRB (0.52) GAAKMT2AEPHX2THRBTSHR

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
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 (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 KDM4E 998/4885GAA 3472/4885KMT2A 3260/4885

“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.