SCHEMBL899148

SCHEMBL899148

CCCCCCCCCN1C=CN(CC)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DNM1 Q05193 3/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
TBXAS1 P24557 1/20 0.34
NPC1 O15118 2/20 0.33
GALR3 O60755 2/20 0.33

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
SCHEMBL898691 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL3209174 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL411403 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL409127 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5291592 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5288773 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL412672 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL898380 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5289051 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL413381 1.00 GUSB (0.38) GUSBEBPSIGMAR1PTGS1PTGS2

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US claimed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
US-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
CN-107074890-B Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2019-09-24 CN disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
EP-3207047-B1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
EP-3207047-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID Merck Patent GmbH (DE) 2017-08-23 EP disclosed
CN-107074890-A Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2017-08-18 CN disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085965-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085966-A1 METHOD FOR PRODUCING PERFLUOROALKYL CYANOBORATES OR PERFLUOROALKYL CYANOFLUOROBORATES MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085967-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011072810-A1 COMPOUNDS WITH (PERFLUORALKYL)FLUORO-HYDROGENPHOSPHATE ANIONS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
WO-2010069458-A1 HEXAHALOCHROMATE (LLL) COMPLEXES MERCK PATENT GMBH (DE) 2010-06-24 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 GUSB 4197/4885EBP 811/4885SIGMAR1 3607/4885
US-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT GUSB 2077/4885EBP 3813/4885SIGMAR1 4781/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 GUSB 4197/4885EBP 811/4885SIGMAR1 3607/4885

“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.