SCHEMBL1138239

SCHEMBL1138239

O=C(O)c1ncccc1OCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE5A O76074 1/20 0.43
PTPN1 P18031 1/20 0.42
MYC P01106 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
PTK2B Q14289 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL286897 0.85 PTPN1 (0.50) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL5513972 0.85 LMNA (0.54) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL2276390 0.83 PTPN1 (0.49) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL12697756 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL796628 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL8881039 0.83 PTPN1 (0.55) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL6042801 0.82 PTPN1 (0.51) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL8883428 0.82 CYP11B1 (0.55) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL27480442 0.82 PTPN1 (0.60) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL5517768 0.82 KDM4E (0.49) KDM4EALDH1A1MAPTALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 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 (1 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-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 KDM4E 4783/4885ALDH1A1 3239/4885MAPT 3508/4885

“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.