SCHEMBL18360490

SCHEMBL18360490

COc1ccc(CNC(=O)c2cc3c(cc2F)COB3O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
WDR5 P61964 1/20 0.43

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
SCHEMBL18360471 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360535 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360483 0.86 CA1 (0.60) CA1CA2CA12CA9KMT2A
SCHEMBL18360476 0.84 LMNA (0.46) CA1CA2CA12CA9KMT2A
SCHEMBL18360416 0.84 NPC1 (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL18360466 0.80 ALDH1A1 (0.49) CA1CA2THRBCA12CA9
SCHEMBL18360404 0.80 CA1 (0.41) CA1CA2CA12CA9WDR5
SCHEMBL18360537 0.79 CA1 (0.47) CA1CA2MAPTCA12CA9
SCHEMBL18360444 0.78 NPSR1 (0.49) CA1CA2CA12CA9KMT2A
SCHEMBL2527747 0.78 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 PDE4A 2634/4885PDE4B 1495/4885PDE4C 2795/4885

“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.