SCHEMBL7173236

SCHEMBL7173236

Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL454625 0.92 ALDH1A1 (0.33) ALDH1A1
Benzene SCHEMBL30760627 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL677647 0.92 ALDH1A1 (0.33) ALDH1A1
Lithium Ion SCHEMBL1452499 0.90 ALDH1A1 (0.32) ALDH1A1
Potassium Ion SCHEMBL28923901 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1451496 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1451098 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29828600 0.86 GAA (0.31)
Benzenethiol SCHEMBL29634873 0.84 GAA (0.31)
Benzene SCHEMBL28592113 0.84

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-20040133009-A1 Transition metal compound provided as a catalyst constituent, and use thereof for producing polyolefins CELANESE VENTURES GMBH (DE) 2004-07-08 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-20040133009-A1 Transition metal compound provided as a catalyst constituent, and use thereof for producing polyolefins OXA1L, ZNF787, CPNE4 ALDH1A1 2624/4885

“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.