SCHEMBL816436

SCHEMBL816436

CC(=O)CCCCCCOCCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.41
CES2 O00748 4/20 0.41
FAAH O00519 7/20 0.37
CES1 P23141 5/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL148224 0.84 PAOX (0.54) PAOXCES2MEN1KMT2AGAA
SCHEMBL815907 0.83 ALDH1A1 (0.48) MEN1KMT2AHSD17B10HDAC1HDAC2
SCHEMBL30497656 0.83 ALDH1A1 (0.48) MEN1KMT2AHSD17B10HDAC1HDAC2
SCHEMBL814585 0.82 TSHR (0.47) CES2MEN1KMT2APLA2G2CGAA
SCHEMBL814157 0.81 ALDH1A1 (0.41) CES2FAAHCES1MEN1CYP1A2
SCHEMBL19043440 0.81 PLA2G2C (0.45) PAOXCES2FAAHCES1MEN1
SCHEMBL13656097 0.80 PAOX (0.50) PAOXCES2FAAHCES1MEN1
SCHEMBL5172758 0.80 PAOX (0.50) PAOXCES2FAAHCES1MEN1
SCHEMBL379594 0.80 PAOX (0.50) PAOXCES2FAAHCES1MEN1
SCHEMBL13656100 0.80 PAOX (0.50) PAOXCES2FAAHCES1MEN1

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-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
WO-2008003444-A1 FLUOROSURFACANTS 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-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 PAOX 93/4885CES2 385/4885FAAH 151/4885

“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.