SCHEMBL3021173

SCHEMBL3021173

CCOC(=O)c1cc(-c2cc(C(=O)OC)c(C)o2)cc(CN2CCN(Cc3cc(-c4cc(C(=O)OC)c(C)o4)cc(C(=O)OCC)n3)CCN(Cc3cc(-c4cc(C(=O)OC)c(C)o4)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRCA1 P38398 1/20 0.35
FUCA1 P04066 3/20 0.35
GLB1 P16278 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3016094 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPTNPSR1
SCHEMBL3123162 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHTTNPSR1BRCA1
SCHEMBL3693210 0.82 CHRM2 (0.39) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL3019641 0.79 NPC1 (0.44) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL3020892 0.77 LMNA (0.40) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL3004679 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EHTTBRCA1FUCA1
SCHEMBL3022329 0.76 CHRM3 (0.37) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL862555 0.75 CYP1A2 (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL842177 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL13214427 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHTTMEN1KMT2A

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 3 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

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 ALDH1A1 4545/4885KDM4E 2737/4885HTT 1969/4885

“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.