SCHEMBL4489691

SCHEMBL4489691

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

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.43

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
SCHEMBL5301595 1.00 FDPS (0.43) FDPS
SCHEMBL29012433 1.00 FDPS (0.43) FDPS
SCHEMBL28904337 1.00 FDPS (0.43) FDPS
SCHEMBL4486157 1.00 FDPS (0.43) FDPS
SCHEMBL28390378 1.00 FDPS (0.43) FDPS
SCHEMBL669819 1.00 FDPS (0.43) FDPS
SCHEMBL6264031 1.00 FDPS (0.43) FDPS
Phosphoric Acid SCHEMBL28999646 0.95 FDPS (0.46) FDPS
Phosphoric Acid SCHEMBL29088148 0.95 FDPS (0.46) FDPS
SCHEMBL617158 0.94 FDPS (0.41) FDPS

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
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US disclosed
US-7605267-B2 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2009-10-20 US disclosed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 US disclosed
EP-1182196-B1 Halogen-free preparation of ionic fluids SOLVENT INNOVATION GMBH (DE) 2004-06-30 EP disclosed
EP-1182196-A1 Halogenide-free preparation of ionic fluids Solvent Innovation GmbH (DE) 2002-02-27 EP 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 (2 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-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 FDPS 4013/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 FDPS 2849/4885

“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.