SCHEMBL3016482

SCHEMBL3016482

Cc1oc(-c2cc(CN3CCN(Cc4cc(-c5oc(C)c(C(=O)O)c5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5oc(C)c(C(=O)O)c5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.31
MAPT P10636 4/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.30
POLB P06746 1/20 0.30
P2RY12 Q9H244 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3021494 1.00 ALDH1A1 (0.36) ALDH1A1TSHRLMNAKDM4ENPC1
SCHEMBL3019178 0.90 ALDH1A1 (0.31) ALDH1A1TSHRLMNAKDM4ENPC1
SCHEMBL10014292 0.84
SCHEMBL13214424 0.82 DRD3 (0.33) ALDH1A1TSHRKDM4EMAPTTP53
SCHEMBL10044305 0.80 DRD3 (0.31) ALDH1A1KDM4E
SCHEMBL3019641 0.78 NPC1 (0.44) ALDH1A1TSHRLMNAKDM4ENPC1
SCHEMBL3691760 0.77 MAPT (0.37) ALDH1A1LMNAKDM4EMAPTTP53
SCHEMBL13234762 0.75 DRD3 (0.30)
SCHEMBL16691102 0.75
SCHEMBL3024502 0.74

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 4 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-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 ALDH1A1 4545/4885TSHR 668/4885LMNA 1328/4885

“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.