SCHEMBL469425

SCHEMBL469425

CCCCOCCCOc1cc(Cl)cc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
ERN1 O75460 1/20 0.34
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.31
LPL P06858 2/20 0.30
LIPG Q9Y5X9 2/20 0.30
KCNH2 Q12809 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
SCHEMBL460368 0.84 LMNA (0.40) ALDH1A1KDM4EPKMERN1TDP1
SCHEMBL2679545 0.84 MEN1 (0.36) ALDH1A1KDM4EPKMERN1KMT2A
SCHEMBL13073613 0.83 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1GAAKMT2A
SCHEMBL15074985 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1L3MBTL1GAA
SCHEMBL17010281 0.79 ERN1 (0.51) ALDH1A1KDM4EERN1TDP1GAA
SCHEMBL5019553 0.77 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1GAAKMT2A
SCHEMBL469429 0.77 ERN1 (0.56) ALDH1A1KDM4EERN1TDP1L3MBTL1
SCHEMBL5028313 0.76 GAA (0.39) ALDH1A1KDM4ETDP1L3MBTL1GAA
SCHEMBL469392 0.76 NPC1 (0.36) ALDH1A1KDM4EERN1TDP1L3MBTL1
SCHEMBL13073687 0.75 ALDH1A1 (0.35) ALDH1A1ERN1TDP1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 US disclosed
EP-3251678-A1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Anacor Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
EP-2613788-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2017-06-21 EP disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 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 (3 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885KDM4E 2938/4885PKM 4059/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885KDM4E 2938/4885PKM 4059/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885KDM4E 2938/4885PKM 4059/4885

“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.