SCHEMBL3182091

SCHEMBL3182091

Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.68
MCL1 Q07820 4/20 0.68
ELANE P08246 1/20 0.66
PGAM1 P18669 8/20 0.60
PKLR P30613 3/20 0.58
PTPN1 P18031 2/20 0.58
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
MAOA P21397 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
ALOX12 P18054 2/20 0.55
MAPK1 P28482 2/20 0.55
RECQL P46063 2/20 0.55
DAPK1 P53355 2/20 0.55
CYP1B1 Q16678 2/20 0.55

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
SCHEMBL30260040 1.00 BCL2 (0.68) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL18601896 0.87 ELANE (0.59) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL10909854 0.86 KDM4E (0.55) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL5573019 0.85 PKLR (0.60) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL31238107 0.83 ELANE (0.71) BCL2MCL1ELANEMEN1MAPT
SCHEMBL3192604 0.83 ELANE (0.71) BCL2MCL1ELANEMEN1MAPT
SCHEMBL3191867 0.82 EPHX2 (0.57) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL6361693 0.82 EPHX2 (0.67) BCL2MCL1ELANEPGAM1MEN1
SCHEMBL29384381 0.81 BCL2 (1.00) BCL2MCL1ELANEPGAM1PKLR
SCHEMBL555230 0.81 BCL2 (1.00) BCL2MCL1ELANEPGAM1PKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491626-B Composition for preventing or treating liver cancer comprising 1,2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2023-04-11 CN claimed
CN-111491626-A Composition for preventing or treating liver cancer comprising 1, 2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2020-08-04 CN claimed
CN-111491626-B Composition for preventing or treating liver cancer comprising 1,2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2023-04-11 CN disclosed
CN-111491626-B Composition for preventing or treating liver cancer comprising 1,2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2023-04-11 CN disclosed
CN-111491626-B Composition for preventing or treating liver cancer comprising 1,2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2023-04-11 CN disclosed
EP-3050151-B1 QUINONE AND HYDROQUINONE BASED FLOW BATTERY HARVARD COLLEGE (US) 2021-12-15 EP disclosed
CN-111491626-A Composition for preventing or treating liver cancer comprising 1, 2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2020-08-04 CN disclosed
CN-111491626-A Composition for preventing or treating liver cancer comprising 1, 2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2020-08-04 CN disclosed
CN-111491626-A Composition for preventing or treating liver cancer comprising 1, 2-dihydroxy-3-methylanthraquinone as active ingredient 加图立大学校产学协力团 2020-08-04 CN disclosed
WO-2019124896-A1 COMPOSITION CONTAINING 1,2-DIHYDROXY-3-METHYLANTHRAQUINONE AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF LIVER CANCER 가톨릭대학교산학협력단 2019-06-27 WO disclosed
US-9938308-B2 Coordination compounds having redox non-innocent ligands and flow batteries containing the same LOCKHEED MARTIN ENERGY, LLC (US) 2018-04-10 US disclosed
US-20170291916-A1 COORDINATION COMPOUNDS HAVING REDOX NON-INNOCENT LIGANDS AND FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ENERGY, LLC 2017-10-12 US disclosed
US-20160248114-A1 QUINONE AND HYDROQUINONE BASED FLOW BATTERY U.S. DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-7658937-B2 Anthraquinones and process for the preparation and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-02-09 US disclosed
US-7658937-B2 Anthraquinones and process for the preparation and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-02-09 US disclosed
CN-101638808-A Method for screening enhanced anti-tumor compounds UNIV FUDAN 2010-02-03 CN disclosed
WO-2008031358-A1 1,2-DIHYDROXY-3-METHYL-9,10-ANTHRAQUINONE IN THE MANUFACTURE OF MEDICAMENTS FOR TREATING CANCERS FUDAN UNIVERSITY (CN) 2008-03-20 WO disclosed
EP-1745000-A2 NOVEL ANTHRAQUINONES AND PROCESS FOR THE PREPARATION AND METHOD OF USE THEREOF Michigan State University (US) 2007-01-24 EP disclosed
US-20050267307-A1 Novel anthraquinones and process for the preparation and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-12-01 US disclosed
WO-2005113478-A2 NOVEL ANTHRAQUINONES AND PROCESS FOR THE PREPARATION AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-12-01 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 (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-20050267307-A1 Novel anthraquinones and process for the preparation and method of use thereof PAH, APEH, SDHA BCL2 2400/4885MCL1 1804/4885ELANE 1687/4885
US-20170291916-A1 COORDINATION COMPOUNDS HAVING REDOX NON-INNOCENT LIGANDS AND FLOW BATTERIES CONTAINING THE SAME NQO1, VDAC1, SQOR BCL2 2502/4885MCL1 448/4885ELANE 1446/4885

“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.