SCHEMBL516450

SCHEMBL516450

CCC[N+](N)(CCC)CCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.47
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A2 O15244 1/20 0.33
DNM1 Q05193 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 SCHEMBL9628495 0.96 SLC22A1 (0.44) SLC22A1CYP2D6CYP2C19SLC22A2DNM1
SCHEMBL27898011 0.85
Hydrochloric Acid SCHEMBL27702766 0.82 SLC22A1 (0.39) SLC22A1
SCHEMBL232230 0.75
Water SCHEMBL7200803 0.74 SLC22A1 (0.50) SLC22A1SLC22A2DNM1ALDH1A1TP53
SCHEMBL8152125 0.74 SLC22A1 (0.59) SLC22A1SLC22A2DNM1ALDH1A1TP53
SCHEMBL10863762 0.72 SLC22A1 (0.61) SLC22A1SLC22A2DNM1ALDH1A1TP53
SCHEMBL352085 0.72
SCHEMBL1704919 0.72
SCHEMBL1955856 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914882-B2 Reverse emulsion breaker polymers ECOLAB USA INC. (US) 2018-03-13 US claimed
WO-2016144613-A1 REVERSE EMULSION BREAKER POLYMERS ECOLAB USA INC. (US) 2016-09-15 WO claimed
US-20160257891-A1 REVERSE EMULSION BREAKER POLYMERS APERGY BMCS ACQUISITION CORP 2016-09-08 US claimed
EP-0027645-B1 PROCESS FOR PREPARING HYDRAZINES Osborg, Hans (US) 1983-01-12 EP claimed
EP-3336093-B1 PHOSPHORIC ACID DIESTER SALT, PRODUCTION METHOD THEREFOR, NON-AQUEOUS ELECTROLYTE FOR POWER STORAGE ELEMENT, AND POWER STORAGE ELEMENT STELLA CHEMIFA CORP (JP) 2023-11-01 EP disclosed
US-11180515-B2 Non-aqueous electrolytic solution for power storage element STELLA CHEMIFA CORPORATION (JP) 2021-11-23 US disclosed
US-20200399296-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION FOR POWER STORAGE ELEMENT STELLA CHEMIFA CORP (JP) 2020-12-24 US disclosed
US-10793585-B2 Phosphoric acid diester salt, production method therefor, non-aqueous electrolytic solution for power storage element, and power storage element STELLA CHEMIFA CORPORATION (JP) 2020-10-06 US disclosed
US-20180237461-A1 PHOSPHORIC ACID DIESTER SALT, PRODUCTION METHOD THEREFOR, NON-AQUEOUS ELECTROLYTIC SOLUTION FOR POWER STORAGE ELEMENT, AND POWER STORAGE ELEMENT STELLA CHEMIFA CORPORATION (JP) 2018-08-23 US disclosed
EP-3336093-A1 PHOSPHORIC ACID DIESTER SALT, PRODUCTION METHOD THEREFOR, NON-AQUEOUS ELECTROLYTE FOR POWER STORAGE ELEMENT, AND POWER STORAGE ELEMENT Stella Chemifa Corporation (JP) 2018-06-20 EP disclosed
US-9914882-B2 Reverse emulsion breaker polymers ECOLAB USA INC. (US) 2018-03-13 US disclosed
WO-2016144613-A1 REVERSE EMULSION BREAKER POLYMERS ECOLAB USA INC. (US) 2016-09-15 WO disclosed
US-20090247429-A1 SHALE HYDRATION INHIBITION AGENT(S) AND METHOD OF USE SHRIEVE CHEMICAL PRODUCTS, INC. (US) 2009-10-01 US disclosed
WO-2009120875-A2 SHALE HYDRATION INHIBITION AGENT(S) AND METHOD OF USE SHRIEVE CHEMICAL PRODUCTS, INC. (US) 2009-10-01 WO disclosed
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
US-4505833-A USING A QUATERNARY OLIGOMER AS AN ANTISWELLING AGENT AND PREVENT MMIGRATION IN OIL WELLS DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1985-03-19 US 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-20200399296-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION FOR POWER STORAGE ELEMENT ASIC1, NHERF1, NAF1 SLC22A1 1179/4885CYP2D6 4616/4885CYP2C19 4622/4885
US-20180237461-A1 PHOSPHORIC ACID DIESTER SALT, PRODUCTION METHOD THEREFOR, NON-AQUEOUS ELECTROLYTIC SOLUTION FOR POWER STORAGE ELEMENT, AND POWER STORAGE ELEMENT NHERF1, SLC8A1, SLC39A11 SLC22A1 1127/4885CYP2D6 4611/4885CYP2C19 4767/4885
US-10793585-B2 Phosphoric acid diester salt, production method therefor, non-aqueous electrolytic solution for power storage element, and power storage element NHERF1, SLC8A1, SLC39A11 SLC22A1 1127/4885CYP2D6 4611/4885CYP2C19 4767/4885
US-11180515-B2 Non-aqueous electrolytic solution for power storage element ASIC1, NHERF1, NAF1 SLC22A1 1179/4885CYP2D6 4616/4885CYP2C19 4622/4885

“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.