SCHEMBL8378286

SCHEMBL8378286

C=C1OB(c2ccc(Oc3ccc(C(=O)OCC)c(OCC)n3)cc2CO)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
PDE4B Q07343 4/20 0.38
CYP1A2 P05177 4/20 0.33
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGS2 P35354 1/20 0.31
MCL1 Q07820 1/20 0.31
BAK1 Q16611 1/20 0.31
UCHL1 P09936 1/20 0.30
LIPE Q05469 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
SCHEMBL2529054 0.88 F10 (0.44) F10PDE4BCYP1A2CYP2C9CYP2C19
SCHEMBL2529475 0.75 F10 (0.44) F10PDE4BCYP1A2CYP2C9CYP2C19
SCHEMBL8378161 0.72 PDE4B (0.52) F10PDE4BLMNATSHRSMN1; SMN2
SCHEMBL2529572 0.71 PDE4B (0.70) PDE4BPDE4APDE4CPDE4D
SCHEMBL18015951 0.71 PDE4B (0.57) F10PDE4BPDE4APDE4CPDE4D
SCHEMBL13976101 0.69 TSHR (0.49) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL2529968 0.69 UCHL1 (0.45) PDE4BLMNAALDH1A1L3MBTL1PTGS2
SCHEMBL1313709 0.67 TSHR (0.49) F10CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2532260 0.67 F10 (0.49) F10PDE4BCYP1A2CYP2C9CYP2C19
SCHEMBL429160 0.65 UCHL1 (0.40) CYP1A2CYP2C9CYP2C19LMNAPOLB

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 F10 3796/4885PDE4B 776/4885CYP1A2 4597/4885

“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.