SCHEMBL13383487

SCHEMBL13383487

CN(C)CCOB(c1ccc(COc2ccc(B(OCCN(C)C)c3ccc(C(F)(F)F)cc3)cc2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LYPLA1 O75608 1/20 0.55
▸ LYPLA2 O95372 1/20 0.55
▸ MAOB P27338 7/20 0.51
▸ CACNA1B Q00975 2/20 0.46
▸ SLC6A5 Q9Y345 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ HMOX1 P09601 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
SCHEMBL12271226 0.95 LYPLA1 (0.51) LYPLA1LYPLA2MAOBCACNA1BSLC6A5
SCHEMBL2407885 0.87 LYPLA1 (0.54) LYPLA1LYPLA2CACNA1BHRH3
SCHEMBL12266345 0.84 LYPLA1 (0.77) LYPLA1LYPLA2HRH3KEAP1NFE2L2
SCHEMBL12266259 0.83 MAOB (0.62) MAOBHRH3HMOX1
SCHEMBL16151506 0.82 MAOB (0.51) MAOBCACNA1BSLC6A5FFAR1PPARG
SCHEMBL12270408 0.81 LYPLA1 (0.49) LYPLA1LYPLA2CACNA1BHRH3
SCHEMBL12270826 0.81 MAOB (0.55) MAOBFFAR1PPARG
SCHEMBL12271043 0.79 MAOB (0.47) MAOBCACNA1BSLC6A5FFAR1PPARG
SCHEMBL12270360 0.76 LYPLA1 (0.51) LYPLA1LYPLA2MAOBCACNA1BHRH3
SCHEMBL12266256 0.74 MAOB (0.64) MAOBHRH3FFAR1PPARGHMOX1

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 3 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
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 1988/4885MAOB 627/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LYPLA1 4548/4885LYPLA2 4342/4885MAOB 1138/4885

“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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