SCHEMBL1065743

SCHEMBL1065743

CCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 3/20 0.93
▸ ALDH1A1 P00352 1/20 0.87
▸ TP53 P04637 1/20 0.87
▸ CYP3A4 P08684 1/20 0.87
▸ ALOX15 P16050 1/20 0.87
▸ TSHR P16473 1/20 0.87
▸ ALOX12 P18054 1/20 0.87
▸ SMN1; SMN2 Q16637 1/20 0.87
▸ HIF1A Q16665 1/20 0.87
▸ HSD17B10 Q99714 1/20 0.87
▸ SLC22A2 O15244 1/20 0.86
▸ DNM1 Q05193 8/20 0.77

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
SCHEMBL4059060 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL70748 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL13567361 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1060273 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL2521928 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL332137 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4059099 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1009645 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL158607 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4685770 1.00 SLC22A1 (0.93) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272800-B1 Detoxification of water containing onium compounds BAKER HUGHES INC (US) 2015-01-21 — — EP disclosed
EP-2272800-A1 Detoxification of water containing onium compounds Baker Hughes Incorporated (US) 2011-01-12 — — EP disclosed
EP-1766183-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS Baker Hughes Incorporated (US) 2007-03-28 — — EP disclosed
WO-2005116399-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS BAKER HUGHES INCORPORATED (US) 2005-12-08 — — WO disclosed
US-20050261529-A1 Enhancement modifiers for gas hydrate inhibitors BAKER HUGHES INCORPORATED 2005-11-24 — — US disclosed
EP-1362160-B1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INC (US) 2005-09-28 — — EP disclosed
US-6841089-B2 Detoxification of onium compounds BAKER HUGHES INCORPORATED (US) 2005-01-11 — — US disclosed
EP-1456134-A1 DETOXIFICATION OF QUATERNARY ONIUM COMPOUNDS WITH POLYCARBOXYLATE CONTAINING COMPOUND BAKER HUGHES INCORPORATED (US) 2004-09-15 — — EP disclosed
EP-1456129-A2 DETOXIFICATION OF WATER CONTAINING ONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2004-09-15 — — EP disclosed
US-20040144732-A1 Adding to the aqueous solution an additive sufficient to reduce the toxicity of the onium compound, where the treated onium compound partitions into a non-aqueous phase; removing the non-aqueous phase from the aqueous solution BAKER HUGHES INCORPORATED 2004-07-29 — — US disclosed
US-6723249-B2 NEUTRALIZATION WITH ACID, SULFONATE BAKER HUGHES INCORPORATED 2004-04-20 — — US disclosed
EP-1362160-A1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INCORPORATED (US) 2003-11-19 — — EP disclosed
US-6620330-B2 Removing pollutants from waste water streams BAKER HUGHES INCORPORATED 2003-09-16 — — US disclosed
US-20030146173-A1 Detoxification of quaternary onium compounds with polycarboxylate-containing compound BAKER HUGHES INCORPORATED 2003-08-07 — — US disclosed
US-6596911-B2 Providing a mixture comprising water and a hydrocarbon; and contacting with onium compound and amine salt for inhibiting the formation of the hydrocarbon hydrates BAKER HUGHES INCORPORATION 2003-07-22 — — US disclosed
WO-2003051781-A1 DETOXIFICATION OF QUATERNARY ONIUM COMPOUNDS WITH POLYCARBOXYLATE CONTAINING COMPOUND BAKER HUGHES INCORPORATED (US) 2003-06-26 — — WO disclosed
US-20030116507-A1 Detoxification of onium compounds BAKER HUGHES INCORPORATED 2003-06-26 — — US disclosed
WO-2003051776-A2 DETOXIFICATION OF WATER CONTAINING ONIUM COMPOUNDS BAKER HUGHES INCORPORATED (US) 2003-06-26 — — WO disclosed
WO-2002066785-A1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INCORPORATED (US) 2002-08-29 — — WO disclosed
US-20020038063-A1 Composition and method for inhibition of formation of gas hydrates BAKER HUGHES INCORPORATED 2002-03-28 — — 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 (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-20050261529-A1 Enhancement modifiers for gas hydrate inhibitors AQP1, API5, IWS1 SLC22A1 795/4885ALDH1A1 4364/4885TP53 1673/4885
US-20020038063-A1 Composition and method for inhibition of formation of gas hydrates HDHD5, SHH, NOTUM SLC22A1 2116/4885ALDH1A1 4272/4885TP53 2953/4885

“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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