SCHEMBL13721740

SCHEMBL13721740

CC1CC(C)(C)OB(c2ccc(NC(=O)C(C)(C)C)cc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.35

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 0.77 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2HTTMAPTMEN1
SCHEMBL13720705 0.75 KMT2A (0.37) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL13721601 0.74 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL19865577 0.73 LPL (0.31) —
SCHEMBL21090587 0.73 LPL (0.35) —
SCHEMBL4977958 0.72 LPL (0.40) —
SCHEMBL19865293 0.71 LPL (0.41) —
SCHEMBL21090923 0.69 LPL (0.32) —
SCHEMBL18354582 0.68 CES2 (0.31) —
SCHEMBL7733701 0.68 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2HTT

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 886/4885NPC1 1191/4885RAB9A 1567/4885

“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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