SCHEMBL867967

SCHEMBL867967

CN(C)C1=CC(=O)c2cccc(O)c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 12/20 0.58
AURKA O14965 2/20 0.58
AURKB Q96GD4 2/20 0.58
BACE1 P56817 1/20 0.54
MAOA P21397 2/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
RECQL P46063 4/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 2/20 0.53
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 3/20 0.52
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL867430 0.87 MAPT (0.63) P4HBAURKAAURKBBACE1MAOA
SCHEMBL18992075 0.79 MAPT (0.58) AURKAAURKBBACE1MAOAMAPT
SCHEMBL4304001 0.77 MAPT (0.74) P4HBAURKAAURKBBACE1MAOA
SCHEMBL29440907 0.77 MAPT (0.74) P4HBAURKAAURKBBACE1MAOA
SCHEMBL29728494 0.77 MAPT (0.72) P4HBAURKAAURKBBACE1MAOA
SCHEMBL5175867 0.77 MAPT (0.72) P4HBAURKAAURKBBACE1MAOA
SCHEMBL4539611 0.74 MALT1 (0.71) BACE1MAOAMAPTKMT2AUSP2
SCHEMBL31290244 0.74 MALT1 (0.71) BACE1MAOAMAPTKMT2AUSP2
SCHEMBL24389157 0.74 P4HB (0.64) P4HBAURKAAURKBBACE1MAOA
SCHEMBL16879551 0.74 P4HB (0.64) P4HBAURKAAURKBBACE1MAOA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP claimed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 EP claimed
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
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
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These TAHEEBO JAPAN CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These TAHEEBO JAPAN CO., LTD. (JP) 2009-02-12 US disclosed
US-20080300415-A1 Preparation of optically active 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4, 9-diones having anticancer activities TAHEEBO JAPAN CO., LTD. (JP) 2008-12-04 US disclosed
CN-101142202-A Anticancer compound, intermediate therefor, and processes for producing these TAHEEBO JAPAN KABUSHIKI KAISHA (JP) 2008-03-12 CN disclosed
EP-1860103-A1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE Taheebo Japan Co., Ltd. (JP) 2007-11-28 EP disclosed
EP-1860103-A1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE Taheebo Japan Co., Ltd. (JP) 2007-11-28 EP disclosed
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP disclosed
US-5275626-A Hair dyes L'OREAL (FR) 1994-01-04 US disclosed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 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 (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 P4HB 2548/4885AURKA 1252/4885AURKB 692/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 P4HB 2548/4885AURKA 1252/4885AURKB 692/4885
US-20080300415-A1 Preparation of optically active 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4, 9-diones having anticancer activities DUT, PARP15, NQO1 P4HB 2763/4885AURKA 1376/4885AURKB 1641/4885
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These NQO1, HADH, HADHB P4HB 2246/4885AURKA 1226/4885AURKB 740/4885

“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.