SCHEMBL3339498

SCHEMBL3339498

CCCCC(O)OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.33
FDPS P14324 2/20 0.32
DNM1 Q05193 2/20 0.32
FAAH O00519 2/20 0.31
MAPK1 P28482 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
CETP P11597 1/20 0.30
GPR84 Q9NQS5 2/20 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
SCHEMBL12163490 0.79 CA2 (0.38) CA2CA1ALDH1A1FDPSDNM1
SCHEMBL22588985 0.75
SCHEMBL14664336 0.73 CA2 (0.36) CA2CA1ALDH1A1DNM1MAPK1
SCHEMBL175814 0.72 TSHR (0.50) CA2CA1ALDH1A1FDPSDNM1
SCHEMBL28470882 0.71 SMPD1 (0.42) CA2CETPGPR84
SCHEMBL28815227 0.71 CA2 (0.40) CA2CA1ALDH1A1FAAHMAPK1
SCHEMBL2488498 0.71 CA2 (0.44) CA2CA1FAAHMAPK1CES2
SCHEMBL988191 0.70
SCHEMBL13717637 0.70
SCHEMBL6252448 0.69 CETP (0.42) CA2CA1ALDH1A1FDPSDNM1

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-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
EP-2035131-A2 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
WO-2008003446-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-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 CA2 560/4885CA1 980/4885ALDH1A1 2466/4885

“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.