SCHEMBL6841224

SCHEMBL6841224

COC(=O)CN(CC(=O)OC)Cc1cccc(-c2cc(-c3ccc(Br)cc3)cc(-c3cccc(CN(CC(=O)OC)CC(=O)OC)n3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.40
SLC6A3 Q01959 1/20 0.37
LTB4R Q15722 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
EGFR P00533 1/20 0.33
THRB P10828 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
SCHEMBL6839060 0.79 LTB4R (0.32) LTB4R
SCHEMBL8935762 0.79 KMT2A (0.43) MCL1ALDH1A1TP53MAPTPOLB
SCHEMBL8765283 0.78 MCL1 (0.45) MCL1LTB4RALDH1A1MAPK1TP53
SCHEMBL8755383 0.78 ALDH1A1 (0.40) LTB4RALDH1A1MAPK1MAPTPOLB
SCHEMBL13997749 0.77 LTB4R (0.39) MCL1LTB4RALDH1A1MAPT
SCHEMBL13217240 0.76 MCL1 (0.42) MCL1LTB4RALDH1A1SMN1; SMN2
SCHEMBL8601997 0.74 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTPOLBSMN1; SMN2
SCHEMBL8596932 0.74 MCL1 (0.41) MCL1LTB4RALDH1A1SMN1; SMN2
SCHEMBL13997750 0.74 LTB4R (0.41) LTB4RALDH1A1MAPTAOC3
SCHEMBL9594349 0.74 LTB4R (0.41) LTB4RALDH1A1MAPTAOC3

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
US-7282581-B2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2007-10-16 US disclosed
US-20040260080-A1 Oligonucleotide labeling reactants and their use HOVINEN JARI (FI) 2004-12-23 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-20040260080-A1 Oligonucleotide labeling reactants and their use SSU72, LIG4, NSUN2 MCL1 1773/4885SLC6A3 3665/4885LTB4R 2348/4885

“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.