SCHEMBL8996312

SCHEMBL8996312

COc1cccc2c1C(=O)c1c(OC)cc(C(=O)O)cc1C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 7/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 2/20 0.71
HSP90AA1 P07900 2/20 0.71
HSP90AB1 P08238 2/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
CASP7 P55210 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
FTO Q9C0B1 2/20 0.71
ABCC4 O15439 1/20 0.71
USP2 O75604 1/20 0.71
TP53 P04637 1/20 0.71
CHRM2 P08172 1/20 0.71
HTR1A P08908 1/20 0.71
ADRA2A P08913 1/20 0.71
ADORA3 P0DMS8 1/20 0.71

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
SCHEMBL16226338 0.91 MEN1 (0.72) TTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL8996338 0.87 MEN1 (0.55) TTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9148864 0.87 LMNA (0.54) TTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL8996333 0.85 MEN1 (0.53) TTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL26187188 0.84 TTR (0.76) TTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9279787 0.84 TTR (0.77) TTRMEN1KMT2AALDH1A1KDM4E
Diacerein SCHEMBL29423907 0.83 TTR (1.00) TTRMEN1KMT2AALDH1A1KDM4E
Diacerein SCHEMBL5051685 0.83 TTR (1.00) TTRMEN1KMT2AALDH1A1KDM4E
Diacerein SCHEMBL25784 0.83 TTR (1.00) TTRMEN1KMT2AALDH1A1KDM4E
Diacerein SCHEMBL29944894 0.83 TTR (1.00) TTRMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872474-B1 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2022-01-19 EP disclosed
EP-2872474-B1 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2022-01-19 EP disclosed
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 US disclosed
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 US disclosed
US-20150203442-A1 Anthraquinone Analogs and Methods of Making and Using Thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2015-07-23 US disclosed
US-20150203442-A1 Anthraquinone Analogs and Methods of Making and Using Thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2015-07-23 US disclosed
US-20150203442-A1 Anthraquinone Analogs and Methods of Making and Using Thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2015-07-23 US disclosed
EP-2872474-A2 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF Georgia State University Research Foundation, Inc. (US) 2015-05-20 EP disclosed
WO-2014011753-A2 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-01-16 WO disclosed
WO-2014011753-A2 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-01-16 WO disclosed
EP-2497761-A1 Process for the purification of anthraquinone derivatives ICROM S.p.A. (IT) 2012-09-12 EP disclosed
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 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-20150203442-A1 Anthraquinone Analogs and Methods of Making and Using Thereof PCNA, KRAS, RECQL TTR 4284/4885MEN1 677/4885KMT2A 1122/4885
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL TTR 4284/4885MEN1 677/4885KMT2A 1122/4885

“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.