SCHEMBL17033267

SCHEMBL17033267

CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 4/20 0.51
FAAH O00519 2/20 0.51
HTT P42858 2/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
DGKA P23743 2/20 0.44

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 SCHEMBL23753581 0.99 MEN1 (0.53) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL17024385 0.99 DNM1 (0.51) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL17033268 0.98 MGLL (0.53) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL29345646 0.98 MGLL (0.53) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL17024382 0.98 MEN1 (0.52) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL17024381 0.97 MGLL (0.52) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL17024384 0.97 MGLL (0.52) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL17033271 0.94 EPHX2 (0.50) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL17033274 0.93 DNM1 (0.60) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL17024375 0.93 EPHX2 (0.49) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110905-B1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC (US) 2024-07-17 EP disclosed
US-9284650-B2 Quaternary fatty acid esters as corrosion inhibitors ECOLAB USA INC. (US) 2016-03-15 US disclosed
WO-2015175059-A2 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC. (US) 2015-11-19 WO disclosed
US-20150240365-A1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC. (US) 2015-08-27 US disclosed
US-20150240365-A1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC. (US) 2015-08-27 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-20150240365-A1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS FFAR1, NFKBIA, FFAR2 DNM1 4578/4885MEN1 4472/4885KMT2A 806/4885

“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.