SCHEMBL1853371

SCHEMBL1853371

O=C(O)CCCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
EPHX2 P34913 1/20 0.45
CASP3 P42574 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.41
MGLL Q99685 1/20 0.39

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
SCHEMBL5972005 0.95 KMT2A (0.70) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL2401694 0.95 KMT2A (0.70) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL7565247 0.94 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL3623157 0.94 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL5497609 0.91 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL31378081 0.91 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL14759878 0.89 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL12440444 0.89 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL5497604 0.87 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL16256821 0.87 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
US-9267949-B2 Alkylamino BODIPY dyes as selective fluorescent probes for proteins and mouse embryonic stem cells NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-02-23 US disclosed
US-20150167055-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD APTA BIOSCIENCES LTD. (GB) 2015-06-18 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20140121129-A1 Alkylamino BODIPY Dyes As Selective Fluorescent Probes For Proteins And Mouse Embryonic Stem Cells AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-01 US disclosed
US-8524691-B2 Phosphonated rifamycins and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2013-09-03 US disclosed
US-8288516-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method FUJITSU LIMITED (JP) 2012-10-16 US disclosed
US-8288516-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method FUJITSU LIMITED (JP) 2012-10-16 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-6355611-B1 SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-12 US disclosed
WO-2001030804-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2001029065-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LIMITED (GB) 2001-04-26 WO disclosed
WO-2001028593-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-04-26 WO disclosed
EP-1060189-A1 DERIVATIVES OF GLYCOPEPTIDE ANTIBACTERIAL AGENTS Advanced Medicine, Inc. (US) 2000-12-20 EP disclosed
WO-1999042476-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-08-26 WO disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 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 (1 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 KMT2A 506/4885FABP5 2182/4885FABP7 2483/4885

“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.