SCHEMBL2406190

SCHEMBL2406190

CCOBNC(Cc1ccc(OCc2ccc(B(OCCNC)c3ccccc3)cc2)cc1)Cc1ccc(OCc2ccc(B(OCCNC)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.39
▸ LYPLA1 O75608 1/20 0.37
▸ LYPLA2 O95372 1/20 0.37
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ LPAR3 Q9UBY5 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL12266342 0.83 LYPLA1 (0.50) SIGMAR1LYPLA1LYPLA2L3MBTL1HTR1D
SCHEMBL12270299 0.73 ALDH1A1 (0.40) LYPLA1LYPLA2L3MBTL1
SCHEMBL12271034 0.71 LYPLA1 (0.48) SIGMAR1LYPLA1LYPLA2L3MBTL1HTR1D
SCHEMBL16151506 0.70 MAOB (0.51) PPARG
SCHEMBL18782421 0.69 KDM4E (0.57) SIGMAR1LYPLA1LYPLA2L3MBTL1HTR1D
SCHEMBL12270720 0.68 LYPLA1 (0.49) LYPLA1LYPLA2L3MBTL1HTR1DHTR1B
SCHEMBL12266251 0.68 CYP1A2 (0.67) LYPLA1LYPLA2L3MBTL1LTA4HBCHE
SCHEMBL12266295 0.68 LTA4H (0.51) LYPLA1LYPLA2L3MBTL1HTR1DHTR1B
SCHEMBL12266310 0.67 LYPLA1 (0.54) LYPLA1LYPLA2L3MBTL1HTR1DHTR1B
SCHEMBL12266345 0.67 LYPLA1 (0.77) LYPLA1LYPLA2ALOX5LTA4H

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 SIGMAR1 2136/4885LYPLA1 1153/4885LYPLA2 1988/4885

“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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