SCHEMBL4486157

SCHEMBL4486157

CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[n+]1ccn(C)c1.CCCCCCCC[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
SCHEMBL4489691 1.00 FDPS (0.43) FDPS
SCHEMBL29012433 1.00 FDPS (0.43) FDPS
SCHEMBL28904337 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO claimed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
EP-2562152-B1 A METHOD FOR PREPARING 2,5-DIMETHYLPHENYLACETIC ACID LIANHE CHEMICAL TECHNOLOGY CO LTD (CN) 2016-01-13 EP disclosed
EP-2562152-A1 A METHOD FOR PREPARING 2,5-DIMETHYLPHENYLACETIC ACID Lianhe Chemical Technology Co., Ltd. (CN) 2013-02-27 EP disclosed
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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO 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-1182197-A1 Single step preparation of ionic fluids Solvent Innovation GmbH (DE) 2002-02-27 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.