SCHEMBL5084612

SCHEMBL5084612

O=C1C(Cl)=CC(=O)c2c(O)cccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.74
AURKB Q96GD4 2/20 0.74
MAPT P10636 7/20 0.64
KMT2A Q03164 6/20 0.64
KDM4E B2RXH2 5/20 0.64
RECQL P46063 5/20 0.64
MEN1 O00255 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
HPGD P15428 3/20 0.64
ALOX15 P16050 3/20 0.64
HSD17B10 Q99714 3/20 0.64
CYP3A4 P08684 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TRPA1 O75762 2/20 0.64
TP53 P04637 2/20 0.64
CASP1 P29466 2/20 0.64
CDC25B P30305 2/20 0.64
BLM P54132 2/20 0.64

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
SCHEMBL30004050 1.00 AURKA (0.74) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL2957896 0.85 AURKA (1.00) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL9627478 0.81 AURKA (0.53) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL30003334 0.81 AURKA (0.53) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL109904 0.81 MAPT (0.72) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL29405399 0.81 MAPT (0.72) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL23271871 0.78 AURKA (0.50) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL29647651 0.78 P4HB (0.74) AURKAAURKBMAPTKMT2AKDM4E
SCHEMBL16879125 0.78 MAPT (0.64) AURKAAURKBMAPTKMT2AKDM4E
Plumbagin SCHEMBL34186 0.78 MAPT (1.00) AURKAAURKBMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895575-A HAIR DYES L'OREAL (FR) 1990-01-23 US claimed
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
WO-2008090078-A1 METHOD FOR THE SYNTHESIS OF RHEIN AND DERIVATIVES THEREOF PIERRE FABRE MEDICAMENT (FR) 2008-07-31 WO disclosed
US-5779979-A Method and test kit for determining hydroxy aromatic compounds BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1998-07-14 US disclosed
US-5776415-A Method and test kit for determining hydroxy aromatic compounds BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1998-07-07 US disclosed
US-5462878-A Method for determining hydroxy aromatic compounds BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1995-10-31 US disclosed
US-4933457-A Preparation of 5,8,13,14-tetrahydrobenz[5,6]isoindolo[2,1-b]isoquinolin-8,13-dione derivatives GLAXO GROUP LIMITED (GB) 1990-06-12 US disclosed
US-4895575-A HAIR DYES L'OREAL (FR) 1990-01-23 US disclosed
CN-1034928-A 5,8,13,14-tetrahydrochysene phenyl [5,6] pseudoindoyl [2,1-b] isoquinoline 99.9-8, the preparation of 13-derovatives GLAXO GROUP LTD (GB) 1989-08-23 CN disclosed
EP-0323907-A2 Preparation of 5,8,13,14-tetrahydrobenz(5,6)isoindolo (2,1-b)isoquinolin-8,13-dione derivatives GLAXO GROUP LIMITED (GB) 1989-07-12 EP 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 (2 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC AURKA 4410/4885AURKB 4561/4885MAPT 188/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC AURKA 4410/4885AURKB 4561/4885MAPT 188/4885

“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.