SCHEMBL13721601

SCHEMBL13721601

CC1(C)COB(c2ccc(NC(=O)C(C)(C)C)cc2)OC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL13721714 0.81 L3MBTL1 (0.59) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL4264297 0.76 SNCA (0.44) CA12CA1CA2CA7CA9
SCHEMBL13721740 0.74 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL7733701 0.74 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL2949055 0.72 SNCA (0.37) —
SCHEMBL8083423 0.72 TSHR (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL12370780 0.72 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2273662 0.72 NPC1 (0.56) MAPTALDH1A1CA12CA1CA2
SCHEMBL9935185 0.71 SNCA (0.40) MAPTALDH1A1CA12CA1CA2
SCHEMBL4257326 0.70 SNCA (0.48) —

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
WO-2012155042-A2 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — WO disclosed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — 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-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 L3MBTL1 886/4885MAPT 1330/4885ALDH1A1 4447/4885

“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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