SCHEMBL17835128

SCHEMBL17835128

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 11/20 0.60
MAPK1 P28482 2/20 0.39
MAP2K7 O14733 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
MDM2 Q00987 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL15705622 1.00 APEX1 (0.60) APEX1MAPK1MAP2K7CDC25ACDC25B
SCHEMBL19500018 0.87 APEX1 (0.52) APEX1MAP2K7CDC25ACDC25BALDH1A1
SCHEMBL14135167 0.87 APEX1 (0.52) APEX1MAP2K7CDC25ACDC25BALDH1A1
SCHEMBL14135227 0.85 APEX1 (0.67) APEX1MAP2K7CDC25ACDC25B
SCHEMBL17835134 0.85 APEX1 (0.67) APEX1MAP2K7CDC25ACDC25B
SCHEMBL15711188 0.83 APEX1 (0.53) APEX1MAP2K7CDC25ACDC25BALDH1A1
SCHEMBL17834001 0.79 APEX1 (0.54) APEX1MAP2K7CDC25ACDC25BALDH1A1
SCHEMBL3755606 0.79 APEX1 (0.70) APEX1MAP2K7CDC25ACDC25B
SCHEMBL3755601 0.79 APEX1 (0.70) APEX1MAP2K7CDC25ACDC25B
SCHEMBL17834003 0.78 APEX1 (0.48) APEX1MAPK1POLBHPGDALDH1A1

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-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-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 12/4885MAPK1 3977/4885MAP2K7 4698/4885
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885MAPK1 3977/4885MAP2K7 4698/4885
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885MAPK1 4061/4885MAP2K7 4725/4885
US-11160770-B2 Compounds, compositions and methods for treating oxidative DNA damage disorders OGG1, UNG, ERCC4 APEX1 12/4885MAPK1 3977/4885MAP2K7 4698/4885

“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.