SCHEMBL1132076

SCHEMBL1132076

COc1cc2ccc3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
BCHE P06276 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
ACHE P22303 3/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 3/20 0.50
TP53 P04637 3/20 0.50
NPC1 O15118 2/20 0.50
USP2 O75604 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
ALOX12 P18054 2/20 0.50

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
SCHEMBL6616039 0.96 TDP1 (0.51) TDP1ALDH1A1KMT2ABCHEMAPT
SCHEMBL6616637 0.88 BCL2L1 (0.51) TDP1ALDH1A1KMT2ABCHEMAPT
SCHEMBL6616005 0.85 PDPK1 (0.51) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8498365 0.82 TDP1 (0.44) TDP1ALDH1A1KMT2ABCHEMAPT
SCHEMBL11742867 0.81 TDP1 (0.59) TDP1ALDH1A1KMT2ABCHEMAPT
SCHEMBL6361049 0.80 TDP1 (0.53) TDP1ALDH1A1KMT2ABCHEMAPT
SCHEMBL14522319 0.79 DPP4 (0.43) TDP1ALDH1A1KMT2AMEN1TP53
SCHEMBL6621186 0.77 PDE10A (0.51) ALDH1A1SMN1; SMN2IDO1TDO2KDM4E
SCHEMBL2601751 0.77 ALDH1A1 (0.51) TDP1ALDH1A1KMT2AMAPTHPGD
SCHEMBL2601750 0.77 ALDH1A1 (0.48) TDP1ALDH1A1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-09 US disclosed
EP-2286812-A1 Solubilized topoisomerase poisons Rutgers, The State University (US) 2011-02-23 EP disclosed
US-20100240664-A1 SOLUBILIZED TOPOISOMERASE POISON AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-09-23 US disclosed
US-7781587-B2 antitumor; breast cancer; 8,9-Dimethoxy-2,3-methylenedioxy-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h]1,6-naphthyridin-6-one RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-24 US disclosed
EP-2196205-A1 Topoisomerase poisons Rutgers, The State University (US) 2010-06-16 EP disclosed
EP-1465625-B1 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2010-02-03 EP disclosed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US disclosed
US-7517883-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
EP-1453507-B1 SOLUBILIZED TOPOISOMERASE POISON AGENTS UNIV RUTGERS (US) 2009-03-04 EP disclosed
WO-2003047505-A2 TOPOISOMERASE POISON AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-06-12 WO disclosed
US-20030100560-A1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2003-05-29 US disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
US-6486167-B1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-11-26 US disclosed
EP-1228045-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2002-08-07 EP disclosed
WO-2001032631-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) 2001-05-10 WO disclosed
US-6140328-A FOR TREATING TUMOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-31 US disclosed
EP-1042294-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-11 EP disclosed
WO-1999031067-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-06-24 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 (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-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885ALDH1A1 3459/4885KMT2A 1606/4885
US-20100240664-A1 SOLUBILIZED TOPOISOMERASE POISON AGENTS TOP1, TOP2A, TOP2B TDP1 4/4885ALDH1A1 3664/4885KMT2A 1532/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885ALDH1A1 3459/4885KMT2A 1606/4885
US-20030100560-A1 Heterocyclic cytotoxic agents CCNA1, CCNE1, MCL1 TDP1 563/4885ALDH1A1 114/4885KMT2A 2022/4885

“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.