SCHEMBL11993023

SCHEMBL11993023

CB1OCc2cc(OCC(C)=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 14/20 0.41
PDE4A P27815 11/20 0.41
PDE4C Q08493 9/20 0.41
PDE4D Q08499 9/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLK5 Q9Y337 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL16706908 0.89 ALDH1A1 (0.42) KDM4EALDH1A1HPGDRAB9ACYP1A2
SCHEMBL13470653 0.86 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DKLK5
SCHEMBL7863839 0.84 GAA (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL10186844 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186842 0.79 PDE4B (0.37) PDE4BPDE4APDE4CPDE4D
SCHEMBL11993028 0.77 PDE4B (0.59) HPGDRAB9APDE4BPDE4APDE4C
SCHEMBL11993031 0.75 HRH3 (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863402 0.74 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL596501 0.73 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DHSD17B10
SCHEMBL13470644 0.73 MAPT (0.42) KDM4EALDH1A1HPGDRAB9ACYP1A2

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-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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 (4 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885HPGD 1025/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885HPGD 1025/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885HPGD 1025/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885HPGD 1025/4885

“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.