SCHEMBL3433506

SCHEMBL3433506

COc1cc(OCC(=O)O)ccc1-c1cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc2ccc(N=C=S)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=C=S)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=C=S)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 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33
PPARD Q03181 2/20 0.33
ADORA2B P29275 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CTSA P10619 2/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL18628115 0.94 LPAR1 (0.37) LPAR1LPAR2L3MBTL1CA12CA1
SCHEMBL3433166 0.90 LPAR1 (0.31) LPAR1LPAR2
SCHEMBL3434668 0.89 LPAR1 (0.37) LPAR1LPAR2L3MBTL1CA12CA1
SCHEMBL3433647 0.86 L3MBTL1 (0.35) L3MBTL1PPARD
SCHEMBL3402232 0.82 LPAR1 (0.39) LPAR1LPAR2L3MBTL1CA12CA1
SCHEMBL15117017 0.72 LTB4R (0.33) LPAR1LPAR2PPARD
SCHEMBL15423453 0.72 KCNH2 (0.34) PPARD
SCHEMBL4598913 0.71 P2RY6 (0.50)
SCHEMBL8548578 0.71 CTSA (0.45) CTSA
SCHEMBL9356167 0.70 P2RY6 (0.44) CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP claimed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 US claimed

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-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE SCLY, SRM, TST LPAR1 3415/4885LPAR2 3306/4885L3MBTL1 60/4885

“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.