SCHEMBL18992102

SCHEMBL18992102

O=C1C=C(O)C(=O)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CES1 P23141 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XIAP P98170 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
AHR P35869 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LCK P06239 2/20 0.34
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33

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
SCHEMBL30003252 1.00 KDM4E (0.38) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL9560142 0.87 KDM4E (0.36) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL9178309 0.82 BCL2 (0.48) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL8993580 0.78 XIAP (0.39) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30002673 0.78 XIAP (0.39) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL976245 0.78 HSP90AA1 (0.53) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30490 0.78 S100A4 (0.57) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL23271723 0.77 AURKA (0.41) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL30003509 0.77 AURKA (0.41) KDM4EMAPTMAPK1HPGDALDH1A1
SCHEMBL6683984 0.75 GAPDH (0.49) KDM4EMAPTMAPK1HPGDALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
CN-110891980-A Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2020-03-17 CN disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO 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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 KDM4E 3592/4885MAPT 3573/4885MAPK1 3051/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 KDM4E 3592/4885MAPT 3573/4885MAPK1 3051/4885
US-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC KDM4E 1028/4885MAPT 188/4885MAPK1 3189/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC KDM4E 1028/4885MAPT 188/4885MAPK1 3189/4885

“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.