SCHEMBL3445745

SCHEMBL3445745

CCOc1cccc(C=O)c1Br.c1cc2cc(c1)OC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 6/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
AR P10275 1/20 0.34
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
IGF1R P08069 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
TLR2 O60603 1/20 0.32
ERN1 O75460 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 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
SCHEMBL453233 0.83 LMNA (0.54) LMNAALDH1A1POLBKDM4EHPGD
SCHEMBL3446726 0.79 ALDH1A1 (0.33) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
2-Methoxybenzaldehyde SCHEMBL5687915 0.77 ERN1 (0.46) LMNAALDH1A1POLBKDM4EHPGD
SCHEMBL27421308 0.74 MAPT (0.35) ALDH1A1POLBKDM4EHPGDHTT
SCHEMBL5136658 0.72 ALDH1A1 (0.43) LMNAALDH1A1POLBKDM4EHPGD
Bromoethane SCHEMBL28429545 0.72 JAK2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL15077481 0.71 ALDH1A1 (0.55) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5019551 0.70 ALDH1A1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5727241 0.70 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL27694314 0.70 JAK2 (0.42) JAK2JAK1TYK2JAK3

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 LMNA 4338/4885ALDH1A1 4676/4885POLB 505/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 LMNA 4338/4885ALDH1A1 4676/4885POLB 505/4885
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 LMNA 3968/4885ALDH1A1 646/4885POLB 285/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 LMNA 4338/4885ALDH1A1 4676/4885POLB 505/4885

“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.