SCHEMBL17833998

SCHEMBL17833998

CCCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 10/20 0.53
PKM P14618 3/20 0.40
CDC25B P30305 4/20 0.38
S100A4 P26447 2/20 0.38
CDC25A P30304 3/20 0.36
MAP2K7 O14733 2/20 0.36
APAF1 O14727 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14135165 1.00 APEX1 (0.53) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL15711325 0.90 APEX1 (0.51) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL17833999 0.89 APEX1 (0.52) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL17277150 0.89 APEX1 (0.52) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL15711356 0.88 APEX1 (0.55) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL17689290 0.86 APEX1 (0.50) APEX1CDC25BCDC25AMAP2K7APAF1
SCHEMBL3755601 0.86 APEX1 (0.70) APEX1CDC25BCDC25AMAP2K7
SCHEMBL3755606 0.86 APEX1 (0.70) APEX1CDC25BCDC25AMAP2K7
SCHEMBL19500020 0.85 APEX1 (0.54) APEX1PKMCDC25BS100A4CDC25A
SCHEMBL15711357 0.85 APEX1 (0.55) APEX1PKMCDC25BS100A4CDC25A

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-11160770-B2 Compounds, compositions and methods for treating oxidative DNA damage disorders INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-11-02 US disclosed
US-20200215001-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OXIDATIVE DNA DAMAGE DISORDERS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-07-09 US disclosed
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders INDIANA UNIV AND RES TECH CORP (US) 2017-10-26 US disclosed
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders INDIANA UNIV AND RES TECH CORP (US) 2017-10-26 US disclosed
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders INDIANA UNIVERSITY AND RES TECHNOLOGY CORP (US) 2016-06-16 US disclosed
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders INDIANA UNIVERSITY AND RES TECHNOLOGY CORP (US) 2016-06-16 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 (4 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-20200215001-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OXIDATIVE DNA DAMAGE DISORDERS OGG1, UNG, ERCC4 APEX1 12/4885PKM 1614/4885CDC25B 1413/4885
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885PKM 1614/4885CDC25B 1413/4885
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885PKM 1578/4885CDC25B 1281/4885
US-11160770-B2 Compounds, compositions and methods for treating oxidative DNA damage disorders OGG1, UNG, ERCC4 APEX1 12/4885PKM 1614/4885CDC25B 1413/4885

“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.