SCHEMBL3446404

SCHEMBL3446404

Brc1c(COC2CCCCO2)cccc1OCCOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
DHFR P00374 1/20 0.33
CREBBP Q92793 1/20 0.32
P2RX3 P56373 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8887331 0.86 KDM4C (0.41) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL29176754 0.82 KDM4E (0.42) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL3445830 0.81 ABCB1 (0.42) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL12634793 0.81 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL3446035 0.81 HPGD (0.42) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL1345450 0.81 KDM4C (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL18796462 0.80 KDM4C (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL12375131 0.80 GABRA1 (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL29234119 0.79 MEN1 (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL12634794 0.79 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1

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 KDM4C 3800/4885MEN1 204/4885KMT2A 3169/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 KDM4C 3800/4885MEN1 204/4885KMT2A 3169/4885
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 KDM4C 3152/4885MEN1 3905/4885KMT2A 4542/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 KDM4C 3800/4885MEN1 204/4885KMT2A 3169/4885

“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.