SCHEMBL497556

SCHEMBL497556

CC(=O)CC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 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
SCHEMBL866292 0.76 ACLY (0.41) THRBALDH1A1TDP1
SCHEMBL866291 0.76 THRB (0.35) THRB
SCHEMBL15294466 0.74 ALDH1A1 (0.32) ALDH1A1TDP1TRPA1
SCHEMBL1726464 0.74 THRB (0.33) THRB
SCHEMBL10061712 0.73 CA2 (0.37) THRBALDH1A1
Hydrochloric Acid SCHEMBL28697378 0.72 THRB (0.32) THRB
SCHEMBL6130460 0.72 THRB (0.37) THRB
SCHEMBL123396 0.71
SCHEMBL8534509 0.71 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1
SCHEMBL19014342 0.70 ALDH1A1 (0.33) ALDH1A1TDP1TRPA1

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-8106222-B2 Fluorine-containing ether compound FUJIFILM CORPORATION (JP) 2012-01-31 US disclosed
US-20090018350-A1 NOVEL FLUORINE-CONTAINING ETHER COMPOUND FUJIFILM CORPORATION (JP) 2009-01-15 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-20090018350-A1 NOVEL FLUORINE-CONTAINING ETHER COMPOUND AFF4, AFF1, AFF2 THRB 2210/4885ALDH1A1 3233/4885TDP1 2372/4885

“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.