SCHEMBL17033274

SCHEMBL17033274

CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 3/20 0.57
DGKA P23743 1/20 0.51
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
ESR1 P03372 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48

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 SCHEMBL7209575 0.99 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024386 0.99 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4205679 0.94 DNM1 (0.62) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL17033267 0.93 DNM1 (0.52) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7213507 0.93 DNM1 (0.52) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL17033272 0.93 DNM1 (0.55) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4203252 0.92 MEN1 (0.63) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024385 0.92 DNM1 (0.51) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024373 0.92 MEN1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL21293901 0.92 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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.