SCHEMBL16626767

SCHEMBL16626767

C=CC(=O)N(C)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C9 P11712 1/20 0.36
PLCG2 P16885 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5072323 0.86 CYP2C9 (0.38) ALDH1A1ALOX15CYP2C9PLCG2NFKB1
SCHEMBL16626762 0.84 ALDH1A1 (0.40) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL28501604 0.83 CYP2C9 (0.35) ALDH1A1ALOX15CYP2C9PLCG2NFKB1
SCHEMBL28904108 0.82 CYP2C9 (0.39) ALDH1A1ALOX15CYP2C9PLCG2NFKB1
SCHEMBL28233891 0.81 CYP2C9 (0.34) ALDH1A1ALOX15CYP2C9PLCG2NFKB1
SCHEMBL21693930 0.79 CYP2C9 (0.33) ALDH1A1ALOX15CYP2C9PLCG2NFKB1
SCHEMBL5073003 0.77 ALOX15 (0.44) ALOX15CYP2C9PLCG2NFKB1NFKB2
SCHEMBL16626765 0.76 ALDH1A1 (0.49) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL19424008 0.74 ALDH1A1 (0.45) ALDH1A1ALOX15GAAKDM4E
SCHEMBL15710982 0.73

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
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2020-09-22 US 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

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 ALDH1A1 2471/4885ALOX15 598/4885CYP2C9 4005/4885
US-10780026-B2 Methods of forming dental composites and compositions for reduced shrinkage stress SMCHD1, FHIT, ACR ALDH1A1 1551/4885ALOX15 387/4885CYP2C9 2856/4885
US-20190224081-A1 METHODS OF FORMING DENTAL COMPOSITES AND COMPOSITIONS FOR REDUCED SHRINKAGE STRESS SMCHD1, FHIT, ACR ALDH1A1 1551/4885ALOX15 387/4885CYP2C9 2856/4885

“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.