SCHEMBL3022303

SCHEMBL3022303

O=C(O)c1coc(-c2cc(CN3CCN(Cc4cc(-c5cc(C(=O)O)co5)cc(C(=O)O)n4)CCN(Cc4cc(-c5cc(C(=O)O)co5)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
ALOX15 P16050 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
PAICS P22234 3/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL3019641 0.77 NPC1 (0.44) TSHRALOX15MAPTALDH1A1KDM4E
SCHEMBL3693210 0.76 CHRM2 (0.39) MAPTALDH1A1KDM4EMAPK1LMNA
SCHEMBL25483531 0.73 MAPT (0.37) ALOX15MAPTALDH1A1KDM4ELMNA
SCHEMBL11303038 0.72 KDM5C (0.38) KDM5CKDM4CTSHRHIF1AALOX15
SCHEMBL20634265 0.71 MCL1 (0.54) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3016482 0.71 ALDH1A1 (0.36) KDM5CKDM4CTSHRMAPTALDH1A1
SCHEMBL840378 0.69 KMT2A (0.42) ALOX15ALDH1A1KDM4ELMNAMEN1
SCHEMBL13214432 0.69 MAPT (0.35) MAPTALDH1A1LMNAFAAHMEN1
SCHEMBL3691760 0.68 MAPT (0.37) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL25483550 0.68 MCL1 (0.50) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 NR4A2 3976/4885KDM5C 2287/4885KDM4C 1608/4885

“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.