SCHEMBL3207790

SCHEMBL3207790

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 1.00
▸ DNM1 Q05193 11/20 0.94
▸ KMT2A Q03164 1/20 0.78
▸ HSP90AA1 P07900 2/20 0.74
▸ RAD52 P43351 2/20 0.74
▸ PLA2G1B P04054 1/20 0.67
▸ ATG4B Q9Y4P1 1/20 0.67
▸ SLC22A1 O15245 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
SCHEMBL6060691 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL9717078 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL1042396 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL8755589 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL24997195 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL4633581 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL25212141 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL8755049 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL22320220 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL8755213 1.00 HTT (1.00) HTTDNM1KMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107209146-A electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2017-09-26 — — CN disclosed
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
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
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

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

For each of this compound's patents that has machine-readable text (1 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 HTT 3877/4885DNM1 2757/4885KMT2A 3198/4885

“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.

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