SCHEMBL899200

SCHEMBL899200

CCCCC[n+]1ccn(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
Hydrochloric Acid SCHEMBL962124 0.98 MEN1 (0.47) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL413382 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL409128 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL898377 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL899147 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5291584 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5287687 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5288768 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5302535 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL412673 0.98 ABCB11 (0.48) ABCB11ESR1PGRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9267214-B2 Aluminum recovery process BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-02-23 US claimed
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-20110000782-A1 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2011-01-06 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
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-20180219257-A1 ALUMINUM-ION BATTERY INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-08-02 US 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
US-20110000782-A1 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2011-01-06 US disclosed
WO-2010069458-A1 HEXAHALOCHROMATE (LLL) COMPLEXES MERCK PATENT GMBH (DE) 2010-06-24 WO disclosed
US-20100099031-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-22 US disclosed
EP-2166611-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH THE NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-03-24 EP disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP 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 (4 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS ABCB11 303/4885ESR1 2207/4885PGR 4473/4885
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 ABCB11 347/4885ESR1 1152/4885PGR 1787/4885
US-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT ABCB11 964/4885ESR1 1760/4885PGR 4652/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 ABCB11 347/4885ESR1 1152/4885PGR 1787/4885

“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.