SCHEMBL2406262

SCHEMBL2406262

c1ccc(B(OCC2CCCCN2)C(OC(B(OCC2CCCCN2)c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38

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
SCHEMBL2399110 0.88 KMT2A (0.43) LTA4HPOLBKMT2ACACNA2D1CACNA1B
SCHEMBL2397063 0.84 LTA4H (0.38) LTA4HPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL2399161 0.82 LTA4H (0.44) LTA4H
SCHEMBL8493732 0.72 POLB (0.59) LTA4HPOLBKMT2ACACNA2D1CACNA1B
SCHEMBL8788651 0.69 LTA4H (0.50) LTA4HPOLB
SCHEMBL2841877 0.68 LTA4H (0.55) LTA4HPOLBCHRNB4CHRNA3
SCHEMBL2841875 0.68 LTA4H (0.55) LTA4HPOLBCHRNB4CHRNA3
SCHEMBL2398620 0.68 SCN4A (0.46)
SCHEMBL13383566 0.68 LTA4H (0.48) LTA4HCHRNB4CHRNA3
SCHEMBL12266365 0.68 LTA4H (0.48) LTA4HPOLBCHRNB4CHRNA3

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 LTA4H 4297/4885POLB 1280/4885KMT2A 1067/4885

“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.