SCHEMBL17834004

SCHEMBL17834004

CCC/C(=C\C1=C(OC)C(=O)c2ccccc2C1=O)C(=O)NCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 9/20 0.51
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAP2K7 O14733 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15711353 0.89 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL14135226 0.89 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL29439993 0.89 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL20511176 0.89 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL17834001 0.86 APEX1 (0.54) APEX1ALDH1A1MAPTLMNAKDM4E
SCHEMBL17689286 0.82 APEX1 (0.53) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL15705620 0.81 APEX1 (0.59) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL15711206 0.81 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL14135269 0.81 APEX1 (0.52) APEX1ALDH1A1MAPTLMNAHPGD
SCHEMBL15711189 0.81 APEX1 (0.64) APEX1ALDH1A1MAPTLMNAHPGD

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 12/4885ALDH1A1 291/4885MAPT 2382/4885
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885ALDH1A1 291/4885MAPT 2382/4885
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885ALDH1A1 303/4885MAPT 2468/4885
US-11160770-B2 Compounds, compositions and methods for treating oxidative DNA damage disorders OGG1, UNG, ERCC4 APEX1 12/4885ALDH1A1 291/4885MAPT 2382/4885

“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.