SCHEMBL7721835

SCHEMBL7721835

Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1cc(F)c(B(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ERN1 O75460 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL690271 0.89 ERN1 (0.37) CES2CES1ERN1RAPGEF4
SCHEMBL30593708 0.86 CES2 (0.30) CES2CES1
SCHEMBL18261996 0.78 CA1 (0.33) CES2CES1
SCHEMBL26770173 0.77 NFE2L2 (0.34) CES2CES1ERN1RAPGEF4
SCHEMBL5189478 0.76
SCHEMBL56560 0.76
SCHEMBL27170423 0.74 CES2 (0.34) CES2CES1ERN1
SCHEMBL18462880 0.74 CA12 (0.33)
SCHEMBL5495287 0.73
Water SCHEMBL7063107 0.73

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-20020128521-A1 Process for alkoxylation with a boron-containing catalyst RHODIA OPERATIONS (FR) 2002-09-12 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-20020128521-A1 Process for alkoxylation with a boron-containing catalyst ALKBH3, AOX1, FOXO3 CES2 1432/4885CES1 2547/4885ERN1 3142/4885

“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.