SCHEMBL469429

SCHEMBL469429

CCCCOCCCOc1cc(Cl)cc(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.56
KCNH2 Q12809 1/20 0.41
PTK6 Q13882 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL453441 0.81 ERN1 (0.68) ERN1PTK6ALDH1A1KDM4E
SCHEMBL454383 0.80 ERN1 (0.48) ERN1ALDH1A1KDM4E
SCHEMBL13073688 0.78 ERN1 (0.54) ERN1ALDH1A1TDP1L3MBTL1GAA
SCHEMBL469425 0.77 ALDH1A1 (0.35) ERN1KCNH2ALDH1A1TDP1L3MBTL1
SCHEMBL469424 0.75 ERN1 (0.33) ERN1ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL455724 0.73 ERN1 (1.00) ERN1ALDH1A1KDM4EGAA
SCHEMBL30933727 0.73 ERN1 (1.00) ERN1ALDH1A1KDM4EGAA
SCHEMBL15085002 0.71 DPP4 (0.46) ERN1ALDH1A1TDP1L3MBTL1ESR1
SCHEMBL11503686 0.71 ERN1 (0.60) ERN1ALDH1A1TDP1L3MBTL1GAA
SCHEMBL16005185 0.71 ORAI1 (0.54) ERN1ALDH1A1TDP1L3MBTL1KDM4E

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 ERN1 3162/4885KCNH2 3046/4885PTK6 1110/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885KCNH2 3046/4885PTK6 1110/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885KCNH2 3046/4885PTK6 1110/4885

“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.