SCHEMBL11993024

SCHEMBL11993024

CB1OCc2c1ccc(Oc1ccccc1)c2C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
KDM1A O60341 2/20 0.33
POLB P06746 1/20 0.32
LTA4H P09960 1/20 0.31
TSHR P16473 1/20 0.31
TTR P02766 3/20 0.31
RAF1 P04049 1/20 0.31
RIPK1 Q13546 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11993026 0.82 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186631 0.78
SCHEMBL11993025 0.72 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL10006897 0.71 LTA4H (0.55) LTA4HTSHRTTRRIPK1SLC6A2
SCHEMBL7855446 0.70 PDE4B (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL12446525 0.67 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL18230797 0.67 RPS6KA1 (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7857737 0.66 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL3762380 0.65 LTA4H (0.52) KDM1APOLBLTA4HTSHRRIPK1
SCHEMBL12792086 0.64 HTT (0.53) POLBLTA4HTSHRSLC6A4

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 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885

“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.