SCHEMBL13596346

SCHEMBL13596346

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 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
SCHEMBL12084014 0.74 ALDH1A1 (0.35) ALDH1A1TDP1TRPA1
SCHEMBL9357262 0.74 TDP1 (0.41) LMNATDP1
SCHEMBL22301098 0.74 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL13303095 0.72
SCHEMBL13303091 0.72 TSHR (0.42) ALDH1A1LMNA
SCHEMBL12175269 0.69
SCHEMBL6883144 0.69 CA12 (0.47) ALDH1A1LMNATRPA1
SCHEMBL816479 0.69 PAOX (0.41) ALDH1A1LMNASLC15A2
SCHEMBL13464165 0.67
SCHEMBL416818 0.65 TRPA1 (0.50) ALDH1A1LMNASLC15A2TDP1TRPA1

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-20090320718-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
US-20090320718-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US disclosed
WO-2008003447-A2 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO 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-20090320718-A1 FLUOROSURFACTANTS FPR3, Q6ZSR9, SGMS2 ALDH1A1 4113/4885LMNA 1609/4885SLC15A2 3266/4885

“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.