SCHEMBL971641

SCHEMBL971641

O=C(O)c1cc(OCc2ccccc2)c2c(c1)C(=O)c1cccc(OCc3ccccc3)c1C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 4/20 0.60
TTR P02766 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
HSP90AA1 P07900 2/20 0.60
HSP90AB1 P08238 2/20 0.60
CASP7 P55210 2/20 0.60
FTO Q9C0B1 2/20 0.60
TP53 P04637 2/20 0.60
ABCC4 O15439 1/20 0.60
USP2 O75604 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL28458919 0.90 SMN1; SMN2 (0.49) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL16919799 0.89 MAPT (0.57) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL9173435 0.85 KCNA3 (0.56) MAPTHTR1AMAPK1HTTPTGER1
SCHEMBL30293150 0.85 TTR (0.75) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL9149164 0.85 TTR (0.75) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL16919800 0.84 TTR (0.44) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL972874 0.84 MEN1 (0.52) KMT2AMEN1TTRPTGER1RXRA
SCHEMBL9173778 0.82 TTR (0.64) KMT2AMEN1HPGDTTRKDM4E
SCHEMBL16919801 0.82 KCNA3 (0.46) TTRMAPTMAPK1PTGER1TDP1
SCHEMBL3290486 0.82 TTR (0.63) KMT2AMEN1HPGDTTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015269-A1 PROCESS FOR THE PREPARATION OF DIACERIN LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2011-01-20 US claimed
CN-108586278-B Preparation and application of anthraquinone compound for inducing liver cancer paracellular apoptosis 广西医科大学 2020-09-08 CN 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-8324411-B2 Process for the preparation of DIACEREIN LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2012-12-04 US disclosed
US-20110015269-A1 PROCESS FOR THE PREPARATION OF DIACERIN LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2011-01-20 US disclosed
EP-2234953-A1 PROCESS FOR THE PREPARATION OF DIACERIN Laboratorio Chimico Internazionale S.p.A. (IT) 2010-10-06 EP disclosed
WO-2009090483-A1 PROCESS FOR THE PREPARATION OF DIACERIN LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2009-07-23 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 (3 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 KMT2A 1122/4885MEN1 677/4885HPGD 950/4885
US-20110015269-A1 PROCESS FOR THE PREPARATION OF DIACERIN ALOX15B, ALOX12, ACAT1 KMT2A 3332/4885MEN1 1265/4885HPGD 854/4885
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL KMT2A 1122/4885MEN1 677/4885HPGD 950/4885

“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.