SCHEMBL3445836

SCHEMBL3445836

COCCCOc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TLR2 O60603 1/20 0.35
ERN1 O75460 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
MAPT P10636 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SRC P12931 1/20 0.34
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5019553 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL1498588 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL5019544 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL15077378 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL13035551 0.87 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL13073613 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL469441 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL3446045 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL3445997 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTRAB9A
SCHEMBL461296 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDHTTNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP disclosed
US-9796735-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
EP-2164331-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2010-03-24 EP disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US disclosed
WO-2008157726-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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 (4 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 ALDH1A1 4676/4885SMN1; SMN2 3437/4885HPGD 4048/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 ALDH1A1 4676/4885SMN1; SMN2 3437/4885HPGD 4048/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 ALDH1A1 646/4885SMN1; SMN2 3017/4885HPGD 1004/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 ALDH1A1 4676/4885SMN1; SMN2 3437/4885HPGD 4048/4885

“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.