SCHEMBL3629065

SCHEMBL3629065

C[n+]1ccn(CCCC(F)=C(F)F)c1.O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.41
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL2763184 0.84 MEN1 (0.54) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL13758232 0.83 SMN1; SMN2 (0.53) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL15229953 0.83 MEN1 (0.42) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL572448 0.78 FDPS (0.47) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL3630928 0.77 FDPS (0.41) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL4353565 0.76 FDPS (0.31) FDPS
SCHEMBL3621826 0.74 FDPS (0.43) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL15229909 0.74 FDPS (0.43) FDPSMEN1APAF1NPC1PLA2G1B
SCHEMBL1905485 0.73 FDPS (0.37) FDPS
SCHEMBL16445172 0.72 FDPS (0.38) FDPSMEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685095-B1 METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS MERCK PATENT GMBH (DE) 2010-08-11 EP disclosed
US-7576242-B2 N-Ethylpyridinium bis(pentafluoroethyl)phosphinate; reacting tris(perfluoroalkyl)phosphine oxide is reacted with an alcohol and an organic base; ionic liquids MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
EP-1685095-A1 METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005049555-A1 METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS MERCK PATENT GMBH (DE) 2005-06-02 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-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions PHOSPHO1, PFAS, PFKFB1 FDPS 159/4885MEN1 2001/4885APAF1 4221/4885

“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.