SCHEMBL12266342

SCHEMBL12266342

CNCCOB(c1ccccc1)c1ccc(COc2ccc(B(OCCNC)c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LYPLA1 O75608 1/20 0.50
▸ LYPLA2 O95372 1/20 0.50
▸ HTR1B P28222 2/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ BCHE P06276 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ SIGMAR1 Q99720 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
SCHEMBL16151506 0.84 MAOB (0.51) —
SCHEMBL18782421 0.83 KDM4E (0.57) LYPLA1LYPLA2HTR1BHTR1DL3MBTL1
SCHEMBL2406190 0.83 SIGMAR1 (0.39) LYPLA1LYPLA2HTR1BHTR1DL3MBTL1
SCHEMBL12271034 0.82 LYPLA1 (0.48) LYPLA1LYPLA2HTR1BHTR1DL3MBTL1
SCHEMBL12270299 0.82 ALDH1A1 (0.40) LYPLA1LYPLA2L3MBTL1
SCHEMBL12270720 0.81 LYPLA1 (0.49) LYPLA1LYPLA2HTR1BHTR1DL3MBTL1
SCHEMBL12266251 0.81 CYP1A2 (0.67) LYPLA1LYPLA2L3MBTL1BCHEMEN1
SCHEMBL12266295 0.81 LTA4H (0.51) LYPLA1LYPLA2HTR1BHTR1DL3MBTL1
SCHEMBL12266345 0.81 LYPLA1 (0.77) LYPLA1LYPLA2LTA4HEPHX2
SCHEMBL12271043 0.80 MAOB (0.47) —

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 1988/4885HTR1B 2817/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LYPLA1 4548/4885LYPLA2 4342/4885HTR1B 1648/4885

“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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