SCHEMBL12266345

SCHEMBL12266345

CN(C)CCOB(c1ccccc1)c1ccc(COc2ccc(B(OCCN(C)C)c3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LYPLA1 O75608 1/20 0.77
▸ LYPLA2 O95372 1/20 0.77
▸ LTA4H P09960 4/20 0.52
▸ EGFR P00533 2/20 0.48
▸ MCHR1 Q99705 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ LSS P48449 1/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL12266301 0.87 LYPLA1 (1.00) LYPLA1LYPLA2LTA4H
SCHEMBL13383487 0.84 LYPLA1 (0.55) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL12270908 0.84 LYPLA1 (0.78) LYPLA1LYPLA2LTA4H
SCHEMBL12270830 0.82 LYPLA1 (0.76) LYPLA1LYPLA2LTA4HHRH3
SCHEMBL12270616 0.81 LYPLA1 (0.73) LYPLA1LYPLA2LTA4HMCHR1HRH3
SCHEMBL12266251 0.81 CYP1A2 (0.67) LYPLA1LYPLA2LTA4HEPHX2
SCHEMBL12266297 0.81 LYPLA1 (0.65) LYPLA1LYPLA2LTA4HHRH3KEAP1
SCHEMBL12266342 0.81 LYPLA1 (0.50) LYPLA1LYPLA2LTA4HEPHX2
SCHEMBL12271226 0.80 LYPLA1 (0.51) LYPLA1LYPLA2
SCHEMBL12270360 0.80 LYPLA1 (0.51) LYPLA1LYPLA2LTA4HHRH3KEAP1

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
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
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 (2 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 LYPLA1 1153/4885LYPLA2 1988/4885LTA4H 4297/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LYPLA1 4548/4885LYPLA2 4342/4885LTA4H 4660/4885

“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.

Send feedback