SCHEMBL10053207

SCHEMBL10053207

COc1ccc2c(c1)COB2c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE1A P54750 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL10053224 0.80 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL10053159 0.79 CA1 (0.49) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL10053148 0.79 CA1 (0.46) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL10053206 0.77 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL500219 0.76 CA1 (0.56) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL500078 0.75 CA1 (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL500087 0.74 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583429 0.74 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL19143674 0.73 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL10076823 0.71 CA1 (0.47) PDE4BPDE4APDE4CPDE4DNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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 (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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA PDE4B 2060/4885PDE4A 3014/4885PDE4C 3222/4885

“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.