SCHEMBL3434668

SCHEMBL3434668

COc1cc(OCC(=O)O)ccc1-c1cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc2ccc(N)cc2)Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)c1.COc1cc(OCC(=O)O)ccc1-c1cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc2ccc(N)cc2)Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)c1.COc1cc(OCC(=O)O)ccc1-c1cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc2ccc(N)cc2)Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)c1.[Er+3].[Er+3].[Er+3].[Er+3]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA4 P22748 5/20 0.36
CA9 Q16790 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2B P29275 3/20 0.34
PPARD Q03181 2/20 0.34
ADORA2A P29274 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL3402232 0.93 LPAR1 (0.39) LPAR1LPAR2CA12CA1CA2
SCHEMBL3433506 0.89 LPAR1 (0.35) LPAR1LPAR2CA12CA1CA2
SCHEMBL18628115 0.82 LPAR1 (0.37) LPAR1LPAR2CA12CA1CA2
SCHEMBL3433166 0.80 LPAR1 (0.31) LPAR1LPAR2
SCHEMBL8548578 0.73 CTSA (0.45)
SCHEMBL10535744 0.66 GFER (0.41) CA12CA1CA2CA4CA9
SCHEMBL18677954 0.64 PDK2 (0.34) LPAR1CA12CA1CA2CA4
SCHEMBL10515719 0.62 ADORA2B (0.46) L3MBTL1ADORA2BPTGDR2
SCHEMBL3477183 0.62 NR1D1 (0.34) L3MBTL1
SCHEMBL9356014 0.61 GFER (0.38) CA12CA1CA2CA4CA9

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
CN-104884392-A method for ore separation GEORGIA PACIFIC CHEMICALS LLC 2015-09-02 CN disclosed
WO-2014066237-A1 PROCESSES FOR THE SEPARATION OF ORES GEORGIA-PACIFIC CHEMICALS LLC (US) 2014-05-01 WO disclosed
US-8252866-B2 Azetidinium-functional polysaccharides and uses thereof GEORGIA-PACIFIC CHEMICALS LLC (US) 2012-08-28 US disclosed
US-20100294725-A1 AZETIDINIUM-FUNCTIONAL POLYSACCHARIDES AND USES THEREOF GEORGIA-PACIFIC CHEMICALS LLC (US) 2010-11-25 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 US disclosed
US-7781501-B2 Thermosetting adhesives comprising a resin having azetidinium functional groups GEORGIA-PACIFIC CHEMICALS LLC (US) 2010-08-24 US disclosed
US-20070054144-A1 THERMOSETTING ADHESIVES COMPRISING A RESIN HAVING AZETIDINIUM FUNCTIONAL GROUPS GEORGIA-PACIFIC RESINS, INC. (US) 2007-03-08 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 (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-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 LPAR1 1303/4885LPAR2 750/4885CA12 919/4885

“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.