SCHEMBL13383620

SCHEMBL13383620

OCc1cccc(B(OCC2CCCN2)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.49
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40

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
SCHEMBL13383635 0.96 LTA4H (0.50) LTA4HCHRNB4CHRNA3POLB
SCHEMBL13383606 0.89 LTA4H (0.52) LTA4HCHRNB4CHRNA3POLB
SCHEMBL12266408 0.88 LTA4H (0.49) LTA4HCHRNB4CHRNA3POLBCHRNB2
SCHEMBL12266413 0.85 LTA4H (0.50) LTA4HCHRNB4CHRNA3POLB
SCHEMBL13383566 0.81 LTA4H (0.48) LTA4HCHRNB4CHRNA3
SCHEMBL12266393 0.79 LTA4H (0.52) LTA4HCHRNB4CHRNA3POLBCHRNB2
SCHEMBL12266365 0.79 LTA4H (0.48) LTA4HCHRNB4CHRNA3POLBCHRNB2
SCHEMBL12270172 0.78 LTA4H (0.43) LTA4HCHRNB4CHRNA3
SCHEMBL18586392 0.75 CHRNB4 (0.71) LTA4HCHRNB4CHRNA3
SCHEMBL13383650 0.69 ENPP2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LTA4H 4660/4885CHRNB4 79/4885CHRNA3 256/4885

“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.

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