SCHEMBL6139813

SCHEMBL6139813

CCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)C(CCCC)CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.46
SLC22A1 O15245 3/20 0.46
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
SLC22A2 O15244 1/20 0.42

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
SCHEMBL2861267 0.95 SLC22A1 (0.50) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL16936119 0.95 SLC22A1 (0.50) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL16936160 0.95 SLC22A1 (0.50) DNM1SLC22A1ALDH1A1TP53CYP3A4
Iodide SCHEMBL28492605 0.93 DNM1 (0.48) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL1396250 0.89 SLC22A1 (0.40) DNM1SLC22A1ALDH1A1TP53CYP3A4
Bromide SCHEMBL28543161 0.89 DNM1 (0.43) DNM1SLC22A1ALDH1A1TP53CYP3A4
Bromide SCHEMBL17180403 0.89 ALDH1A1 (0.48) DNM1SLC22A1ALDH1A1TP53CYP3A4
Bromide SCHEMBL2992549 0.88 SLC22A1 (0.41) DNM1SLC22A1ALDH1A1TP53CYP3A4
Iodide SCHEMBL9208016 0.87 SLC22A1 (0.54) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL9117364 0.86 TSHR (0.39) DNM1SLC22A1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362160-B1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INC (US) 2005-09-28 EP disclosed
EP-1456134-A1 DETOXIFICATION OF QUATERNARY ONIUM COMPOUNDS WITH POLYCARBOXYLATE CONTAINING COMPOUND BAKER HUGHES INCORPORATED (US) 2004-09-15 EP 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
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 (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-20020038063-A1 Composition and method for inhibition of formation of gas hydrates HDHD5, SHH, NOTUM DNM1 1836/4885SLC22A1 2116/4885ALDH1A1 4272/4885

“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.