SCHEMBL3219205

SCHEMBL3219205

CCCCCCCCC[N+](CCCCC)(CCCCC)CCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 1.00
ALDH1A1 P00352 1/20 0.93
TP53 P04637 1/20 0.93
CYP3A4 P08684 1/20 0.93
ALOX15 P16050 1/20 0.93
TSHR P16473 1/20 0.93
ALOX12 P18054 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.93
HIF1A Q16665 1/20 0.93
HSD17B10 Q99714 1/20 0.93
SLC22A2 O15244 1/20 0.92
DNM1 Q05193 6/20 0.81
HTT P42858 1/20 0.65

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
SCHEMBL5296604 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5306145 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296135 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2872711 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5291412 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5287942 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296028 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5293588 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL22806629 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5293579 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
EP-2602856-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEM IND LTD (JP) 2017-02-22 EP disclosed
US-9257720-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-9190695-B2 Nonaqueous electrolyte solution, method for producing same, and nonaqueous electrolyte battery using the electrolyte solution WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-17 US disclosed
EP-2602855-B1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEM IND LTD (JP) 2015-02-18 EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2602856-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
EP-2602855-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130143129-A1 NONAQUEOUS ELECTROLYTE SOLUTION, METHOD FOR PRODUCING SAME, AND NONAQUEOUS ELECTROLYTE BATTERY USING THE ELECTROLYTE SOLUTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-06 US disclosed
US-20130130128-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-23 US disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US 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-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 (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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS SLC22A1 983/4885ALDH1A1 90/4885TP53 4469/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 SLC22A1 1635/4885ALDH1A1 3717/4885TP53 3461/4885

“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.