SCHEMBL239399

SCHEMBL239399

O=c1cc[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL368834 0.85 ALDH1A1 (0.45) ALDH1A1NPC1KDM4E
SCHEMBL12338439 0.78 ALDH1A1 (0.65) ALDH1A1KDM4E
SCHEMBL12338438 0.76 ALDH1A1 (0.63) ALDH1A1KDM4E
SCHEMBL29755838 0.73 GPR84 (0.47) ALDH1A1NPC1KDM4E
SCHEMBL612104 0.73 GPR84 (0.47) ALDH1A1NPC1KDM4E
SCHEMBL15133539 0.72 ALDH1A1 (0.59) ALDH1A1NPC1
SCHEMBL30466424 0.71 PARP1 (0.44) ALDH1A1NPC1MTORKDM4E
SCHEMBL15131711 0.71 ALDH1A1 (0.57) ALDH1A1NPC1
SCHEMBL4990505 0.70 PIM3 (0.47) NPC1MTOR
SCHEMBL29616447 0.70 NPC1 (0.41) NPC1MTORKDM4E

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 32 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
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 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-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
WO-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO 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-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US disclosed
US-20050009825-A1 Cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2005-01-13 US disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP disclosed
EP-0990647-B1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BREWERY (JP) 2003-07-02 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
US-6187926-B1 REACTING ORTHO-AMINOACETOPHENONE DERIVATIVE WITH FORMIC ACID ESTER IN APROTIC SOLVENT IN PRESENCE OF BASE, ADDING PROTIC SOLVENT TO REACTION MIXTURE KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
EP-0990647-A1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2000-04-05 EP disclosed
US-3917605-A Process for the preparation on N-substituted 6,7-methylenedioxy-4-quinolone derivatives NAKAGOME TAKENARI 1975-11-04 US 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-20050009824-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B ALDH1A1 3459/4885NPC1 2748/4885MTOR 4762/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 ALDH1A1 115/4885NPC1 234/4885MTOR 3214/4885
US-20050009825-A1 Cytotoxic agents TOP1, TOP2A, TOP2B ALDH1A1 1935/4885NPC1 715/4885MTOR 4046/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885NPC1 2748/4885MTOR 4762/4885

“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.