SCHEMBL3485955

SCHEMBL3485955

COC(=O)C(CC=CCC(NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
CYP26A1 O43174 1/20 0.49
CTSL P07711 5/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL8234372 1.00 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL8226797 1.00 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3485952 1.00 GAA (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL711316 0.94 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL12088621 0.94 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL711315 0.94 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL9892434 0.94 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL711824 0.94 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL12986573 0.93 RAB9A (0.49) GAARAB9AALDH1A1LMNAGLA
SCHEMBL17189638 0.93 GAA (0.49) GAARAB9AALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
EP-1984384-B1 Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides SYNGENE LTD (AU) 2015-10-21 EP disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9035035-B2 Macromolecular nucleotide compounds and methods for using the same GENOVOXX GMBH (DE) 2015-05-19 US disclosed
US-8637650-B2 Macromolecular nucleotide compounds and methods for using the same GENOVOXX GMBH (DE) 2014-01-28 US disclosed
EP-1984386-B1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LTD (AU) 2013-10-09 EP disclosed
US-8552133-B2 Controlled polymerisation process SYNGENE LIMITED (AU) 2013-10-08 US disclosed
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-01-24 US disclosed
US-8188217-B2 2012-05-29 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 US disclosed
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2010-02-04 US disclosed
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 EP disclosed
EP-1984384-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES Monash University (AU) 2008-10-29 EP disclosed
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS Monash University (AU) 2008-10-29 EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 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 (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-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 GAA 4501/4885RAB9A 2781/4885ALDH1A1 2184/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 GAA 4527/4885RAB9A 3002/4885ALDH1A1 2484/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 GAA 4527/4885RAB9A 3002/4885ALDH1A1 2484/4885
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same DUT, SAMHD1, PNP GAA 282/4885RAB9A 3244/4885ALDH1A1 2488/4885

“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.