SCHEMBL3822375

SCHEMBL3822375

CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.O=P([O-])([O-])C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 1/20 0.31

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
SCHEMBL572448 0.91 FDPS (0.47) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL14859749 0.85 FDPS (0.54) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL15229941 0.84 FDPS (0.44) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL16389746 0.84 FDPS (0.51) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL2231149 0.84 FDPS (0.51) FDPSSMN1; SMN2MEN1APAF1NPC1
Phosphoric Acid SCHEMBL2030112 0.84 FDPS (0.54) FDPSSMN1; SMN2MEN1APAF1NPC1
Methyl Phosphonate SCHEMBL14738665 0.82 FDPS (0.53) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL1289989 0.80 FDPS (0.54) FDPSSMN1; SMN2MEN1APAF1NPC1
Phosphoric Acid SCHEMBL2030114 0.80 FDPS (0.59) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL31030086 0.80 FDPS (0.46) FDPSSMN1; SMN2MEN1APAF1NPC1

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-1495036-B1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GMBH (DE) 2009-08-19 EP disclosed
US-7145004-B2 Method for the production of monohydro-perfluoroalkanes, bis(perfluoroalkyl)phosphinates and perfluoroalkylphosphonates MERCK PATENT GESELLSCHAFT (DE) 2006-12-05 US disclosed
US-20050222411-A1 Method for the production of monohydro-perfluoroalkanes, bis (perfluoroalkyl) phosphinates and perfluoroalkylphosphonates MERCK PATENT GMBH (DE) 2005-10-06 US disclosed
EP-1495036-A1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GmbH (DE) 2005-01-12 EP disclosed
WO-2003087111-A1 METHOD FOR THE PRODUCTION OF MONOHYDRO-PERFLUOROALKANES, BIS(PERFLUOROALKYL)PHOSPHINATES, AND PERFLUOROALKYLPHOSPHONATES MERCK PATENT GMBH (DE) 2003-10-23 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-20050222411-A1 Method for the production of monohydro-perfluoroalkanes, bis (perfluoroalkyl) phosphinates and perfluoroalkylphosphonates PFAS, PFKFB2, PHOSPHO1 FDPS 15/4885SMN1; SMN2 4489/4885MEN1 2435/4885

“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.