SCHEMBL13044103

SCHEMBL13044103

CC(C)(C)C1C/C(=C\c2ccc(B(O)O)cc2)C(=O)/C(=C/c2ccc(B(O)O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ USP18 Q9UMW8 1/20 0.40
▸ UCHL5 Q9Y5K5 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
SCHEMBL13633991 0.88 KMT2A (0.44) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8283668 0.83 CYP2C9 (0.59) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11290388 0.80 MEN1 (0.54) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11290392 0.80 MEN1 (0.54) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11816970 0.80 MAPT (0.61) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL11816976 0.80 MAPT (0.61) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8999995 0.79 CYP1A2 (0.62) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL8346191 0.79 CYP1A2 (0.62) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL12659921 0.79 NPC1 (0.47) MEN1KMT2ANPC1NOD2MAPT
SCHEMBL29422210 0.74 ACHE (0.57) MEN1KMT2ANPC1MAPTALDH1A1

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-7829742-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2010-11-09 — — US disclosed
US-7829742-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2010-11-09 — — US disclosed
US-20080171723-A1 Boronic Acid Aryl Analogs John Hopkins University, Johns Hopkins Technology Transfer (US) 2008-07-17 — — 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-20080171723-A1 Boronic Acid Aryl Analogs BRCA1, BCOR, BCCIP MEN1 1885/4885KMT2A 1254/4885NPC1 283/4885

“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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