SCHEMBL497440

SCHEMBL497440

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 4/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL5336890 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL1790510 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL5337470 1.00 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL28371881 0.89 THRB (0.48) THRBALDH1A1TSHRCA2CA1
SCHEMBL28925386 0.79 THRB (0.56) THRBALDH1A1TSHRCA2CA1
SCHEMBL1790667 0.77 ALDH1A1 (0.44) THRBALDH1A1TSHRLMNA
Acetic Acid SCHEMBL28332245 0.77 THRB (0.60) THRBALDH1A1TSHRCA2CA1
SCHEMBL28293544 0.77 THRB (0.68) THRBALDH1A1TSHRCA2CA1
Fluoride SCHEMBL10825823 0.77 THRB (0.37) THRBALDH1A1TSHR
SCHEMBL26348102 0.77 THRB (0.54) THRBALDH1A1TSHRCA2CA1

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 3233/4885TSHR 530/4885

“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.