SCHEMBL460964

SCHEMBL460964

CC1OB(c2c(C=O)cc(Cl)cc2OCCCOCc2ccccc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NAAA Q02083 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
ERN1 O75460 1/20 0.31
KCNA3 P22001 1/20 0.30
KCNA5 P22460 1/20 0.30
AR P10275 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13983638 0.88 ALDH1A1 (0.35) KMT2AMEN1NAAAALDH1A1ERN1
SCHEMBL2679545 0.87 MEN1 (0.36) KMT2AMEN1NAAAKDM4EALDH1A1
SCHEMBL454383 0.74 ERN1 (0.48) KMT2AMEN1KDM4EALDH1A1ERN1
SCHEMBL461296 0.74 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL3445760 0.72 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL469425 0.71 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1PKMERN1
SCHEMBL3446612 0.68 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1ERN1
SCHEMBL12330501 0.67 TSHR (0.42) ALDH1A1
SCHEMBL454257 0.67 KCNA3 (0.35) KMT2AMEN1NAAAALDH1A1ERN1
SCHEMBL452787 0.67 MEN1 (0.36) KMT2AMEN1KDM4EKCNA3KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 US disclosed
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-8703742-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 EP 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 (5 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-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX KMT2A 1962/4885MEN1 678/4885NAAA 1823/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KMT2A 1962/4885MEN1 678/4885NAAA 1823/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KMT2A 1962/4885MEN1 678/4885NAAA 1823/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KMT2A 1962/4885MEN1 678/4885NAAA 1823/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KMT2A 1962/4885MEN1 678/4885NAAA 1823/4885

“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.