SCHEMBL13554243

SCHEMBL13554243

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc(B(O)O)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
SOD1 P00441 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
SCHEMBL15332805 0.83 MGLL (0.39) MGLLRXRARXRBRXRGSOD1
SCHEMBL12260219 0.77 RXRA (0.47) MGLLRXRARXRBRXRGSOD1
SCHEMBL29950784 0.77 RXRA (0.47) MGLLRXRARXRBRXRGSOD1
SCHEMBL29951977 0.75 MGLL (0.41) MGLLRXRARXRBRXRGSOD1
SCHEMBL15330176 0.74 MGLL (0.43) MGLLRXRARXRBRXRG
SCHEMBL29955738 0.73 FAAH (0.42) MGLLRXRARXRBRXRG
SCHEMBL13554239 0.73 RXRA (0.33) MGLLRXRARXRBRXRG
SCHEMBL1409616 0.72 ENPP2 (0.47) MGLLRXRARXRBRXRG
SCHEMBL29954385 0.71 MGLL (0.43) MGLL
SCHEMBL15329420 0.70 MGLL (0.42) MGLL

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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MGLL 4716/4885RXRA 2610/4885RXRB 2718/4885

“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.