SCHEMBL17834003

SCHEMBL17834003

CCCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 9/20 0.48
GAA P10253 1/20 0.37
PKM P14618 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL15711355 0.95 APEX1 (0.46) APEX1GAACNR2ALDH1A1MAPT
SCHEMBL15711188 0.85 APEX1 (0.53) APEX1PKMNPC1RAB9AALDH1A1
SCHEMBL14135167 0.84 APEX1 (0.52) APEX1PKMALDH1A1HDAC2HDAC6
SCHEMBL19500018 0.84 APEX1 (0.52) APEX1PKMALDH1A1HDAC2HDAC6
SCHEMBL14135227 0.83 APEX1 (0.67) APEX1PKM
SCHEMBL17835134 0.83 APEX1 (0.67) APEX1PKM
SCHEMBL3755601 0.81 APEX1 (0.70) APEX1
SCHEMBL3755606 0.81 APEX1 (0.70) APEX1
SCHEMBL15711357 0.80 APEX1 (0.55) APEX1PKMALDH1A1MAPT
SCHEMBL17835128 0.78 APEX1 (0.60) APEX1ALDH1A1HPGDMEN1KMT2A

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 12/4885GAA 517/4885PKM 1614/4885
US-20170304222-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885GAA 517/4885PKM 1614/4885
US-20160166521-A1 Compounds, Compositions and Methods for Treating Oxidative DNA Damage Disorders OGG1, UNG, ERCC4 APEX1 12/4885GAA 503/4885PKM 1578/4885
US-11160770-B2 Compounds, compositions and methods for treating oxidative DNA damage disorders OGG1, UNG, ERCC4 APEX1 12/4885GAA 517/4885PKM 1614/4885

“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.