SCHEMBL6017763

SCHEMBL6017763

COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
THRB P10828 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
SCHEMBL418256 1.00 ALDH1A1 (0.33) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7559620 0.98 F2 (0.33) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL9136368 0.88 DGAT1 (0.34) ALDH1A1
SCHEMBL12658242 0.88 DGAT1 (0.34) ALDH1A1
SCHEMBL416924 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7258369 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL421215 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11938228 0.85 DGAT1 (0.36) ALDH1A1
SCHEMBL7558556 0.85 ALDH1A1 (0.31) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL20560996 0.84 THRB (0.32) ALDH1A1THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7090829-B2 Antitumor agnets; anticancer agents; antidiabetic agents CARBOMER, INC. (US) 2006-08-15 US disclosed
WO-2003086474-A2 FLUORINATED OR PARAMAGNETIC ALGINATE POLYMER, ANNEXIN PARAMAGNETIC CONJUGATE, AND THEIR USE AS CONTRASTING AGENT IN MRI CARBOMER, INC (US) 2003-10-23 WO disclosed
US-20030198599-A1 Novel imaging probes CARBOMER, INC. 2003-10-23 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-20030198599-A1 Novel imaging probes MPI, MIA3, PITPNB ALDH1A1 3450/4885F2 2007/4885PRSS1 2217/4885

“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.