SCHEMBL1138622

SCHEMBL1138622

CB(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.65
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 1/20 0.65
▸ MMP3 P08254 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ PCSK9 Q8NBP7 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ ORAI3 Q9BRQ5 1/20 0.42

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
Phenyl Methyl Borinic Acid SCHEMBL120622 0.84 — —
SCHEMBL14407594 0.82 CA2 (0.61) MGLLCA1CA2CA4CA6
SCHEMBL24996834 0.81 CA2 (0.45) MGLLCA1CA2CA4CA6
SCHEMBL12270787 0.80 CA2 (0.56) MGLLCA1CA2ALDH1A1ORAI1
SCHEMBL12860012 0.79 CA2 (1.00) MGLLCA1CA2MMP3BCL2L1
SCHEMBL25665366 0.79 CA2 (1.00) MGLLCA1CA2MMP3BCL2L1
Biphenylboronic Acid SCHEMBL129728 0.79 CA2 (1.00) MGLLCA1CA2MMP3BCL2L1
Tannin Pyrogallol SCHEMBL5476910 0.78 MGLL (0.68) MGLLCA1CA2MMP3BCL2L1
SCHEMBL2407457 0.77 TRPV6 (0.74) MGLLCA1CA2MMP3BCL2L1
SCHEMBL15459224 0.76 CA2 (0.54) MGLLCA1CA2CA4CA6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096857-A1 Aldose-Ketose Transformation for Separation and/or Chemical Conversion of C6 and C5 Sugars from Biomass Materials THE UNIVERSITY OF TOLEDO (US) 2016-04-07 — — US disclosed
US-9242222-B2 Aldose-ketose transformation for separation and/or chemical conversion of C6 and C5 sugars from biomass materials THE UNIVERSITY OF TOLEDO (US) 2016-01-26 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
US-20130074397-A1 Aldose-Ketose Transformation for Separation and/or Chemical Conversion of C6 and C5 Sugars from Biomass Materials UNIVERSITY OF TOLEDO (US) 2013-03-28 — — US disclosed
US-20120142872-A1 PROCESS FOR POLYMERISING (HETERO)AROMATIC COMPOUNDS BASF SE (DE) 2012-06-07 — — US disclosed
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-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 — — US disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 — — US disclosed
EP-1765360-B1 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS INC (US) 2009-11-11 — — EP disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 — — EP disclosed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 — — 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
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 — — WO disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 — — US disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 — — US 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
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 — — WO disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 — — US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 — — US 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 (6 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-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA MGLL 4560/4885CA1 1384/4885CA2 293/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 MGLL 3746/4885CA1 649/4885CA2 78/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 MGLL 3607/4885CA1 1299/4885CA2 626/4885
US-20160096857-A1 Aldose-Ketose Transformation for Separation and/or Chemical Conversion of C6 and C5 Sugars from Biomass Materials ALDOA, HK1, KHK MGLL 1098/4885CA1 1110/4885CA2 1121/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA MGLL 4560/4885CA1 1384/4885CA2 293/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 MGLL 4257/4885CA1 602/4885CA2 233/4885

“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.

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