SCHEMBL8378161

SCHEMBL8378161

C=C1OB(c2ccc(Oc3ccc(C(=O)OCC)cn3)cc2C=O)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.52
LIPE Q05469 6/20 0.36
UCHL1 P09936 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX3 P56373 1/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
MAOB P27338 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL2531738 0.88 PDE4B (0.59) PDE4BLIPEUCHL1LMNAMAPT
SCHEMBL2527912 0.76 PDE4B (0.54) PDE4BLMNAMAPTTSHRPTGS2
SCHEMBL8378286 0.72 F10 (0.41) PDE4BLIPEUCHL1LMNATSHR
SCHEMBL2529475 0.71 F10 (0.44) PDE4BLIPEUCHL1LMNAPTGS2
SCHEMBL3701944 0.71 KDM4E (0.60) PDE4BLMNAMAPTTSHRKDM4E
SCHEMBL2526655 0.69 PDE4B (1.00) PDE4B
SCHEMBL2527884 0.68 PDE4B (0.40) PDE4BLIPEUCHL1LMNAKDM4E
SCHEMBL7864662 0.68 UCHL1 (0.40) PDE4BLIPEUCHL1LMNAMAPT
SCHEMBL19362950 0.68 PDE4B (0.58) PDE4BLMNAMAPTTSHRKDM4E
SCHEMBL22423380 0.68 PDE4B (0.63) PDE4BLIPEUCHL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885LIPE 1897/4885UCHL1 3246/4885

“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.