SCHEMBL868197

SCHEMBL868197

O=C1C=C(Br)C(=O)c2c(O)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 11/20 1.00
AURKA O14965 2/20 0.64
AURKB Q96GD4 2/20 0.64
BACE1 P56817 3/20 0.63
MAOA P21397 2/20 0.59
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
RECQL P46063 4/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 2/20 0.58
POLB P06746 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
ALOX15 P16050 3/20 0.57
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL29647673 1.00 P4HB (1.00) P4HBAURKAAURKBBACE1MAOA
SCHEMBL10391052 0.85 P4HB (0.74) P4HBAURKAAURKBBACE1MAOA
SCHEMBL29647651 0.85 P4HB (0.74) P4HBAURKAAURKBBACE1MAOA
SCHEMBL29728494 0.81 MAPT (0.72) P4HBAURKAAURKBBACE1MAOA
SCHEMBL5175867 0.81 MAPT (0.72) P4HBAURKAAURKBBACE1MAOA
SCHEMBL24389157 0.78 P4HB (0.64) P4HBAURKAAURKBBACE1MAOA
SCHEMBL16879551 0.78 P4HB (0.64) P4HBAURKAAURKBBACE1MAOA
SCHEMBL29440907 0.78 MAPT (0.74) P4HBAURKAAURKBBACE1MAOA
SCHEMBL2957896 0.78 AURKA (1.00) P4HBAURKAAURKBBACE1MAOA
SCHEMBL4304001 0.78 MAPT (0.74) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101712648-B Synthesis method of azepine anthraquinone NANJING UNIVERSITY OF TECHNOLOGY 2011-11-09 CN claimed
CN-101712648-A Synthesis method of azepine anthraquinone NANJING UNIVERSITY OF TECHNOLOGY 2010-05-26 CN claimed
US-20240018132-A1 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER GODAVARI BIOREFINERIES LTD. (IN) 2024-01-18 US disclosed
US-20240018132-A1 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER GODAVARI BIOREFINERIES LTD. (IN) 2024-01-18 US disclosed
US-20240018132-A1 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER GODAVARI BIOREFINERIES LTD. (IN) 2024-01-18 US disclosed
CN-116670122-A 5-hydroxy-1, 4-naphthalenediones for the treatment of cancer 戈达瓦里生物炼制有限责任公司 2023-08-29 CN 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-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
EP-2555764-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-02-13 EP disclosed
CN-102432569-A Novel process for the preparation of tricyclic compounds with anticancer activity via alkyne coupling reactions TAHEEBO JAPAN CO LTD 2012-05-02 CN disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
CN-101712648-B Synthesis method of azepine anthraquinone NANJING UNIVERSITY OF TECHNOLOGY 2011-11-09 CN disclosed
WO-2011124697-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-13 WO disclosed
WO-2011124697-A1 ANTIMICROBIAL COMPOUNDS OF 1,4- NAPHTOQUINONE STRUCTURE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-13 WO disclosed
CN-101712648-A Synthesis method of azepine anthraquinone NANJING UNIVERSITY OF TECHNOLOGY 2010-05-26 CN 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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 P4HB 2002/4885AURKA 507/4885AURKB 547/4885
US-20240018132-A1 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER HSD17B11, HSD17B1, HSD3B1 P4HB 3326/4885AURKA 660/4885AURKB 455/4885

“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.