SCHEMBL17033271

SCHEMBL17033271

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
DNM1 Q05193 2/20 0.48
FAAH O00519 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SOAT2 O75908 1/20 0.44
SOAT1 P35610 1/20 0.44
DGKA P23743 1/20 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 SCHEMBL17024374 0.99 EPHX2 (0.49) EPHX2DNM1FAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL17024375 0.99 EPHX2 (0.49) EPHX2DNM1FAAHMEN1KMT2A
SCHEMBL17033267 0.94 DNM1 (0.52) EPHX2DNM1FAAHMEN1KMT2A
SCHEMBL17033272 0.94 DNM1 (0.55) EPHX2DNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL23753581 0.93 MEN1 (0.53) EPHX2DNM1FAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL17024385 0.93 DNM1 (0.51) EPHX2DNM1FAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL17024373 0.92 MEN1 (0.56) EPHX2DNM1MEN1KMT2ATP53
Bromide SCHEMBL21293901 0.92 DNM1 (0.56) EPHX2DNM1MEN1KMT2ATP53
SCHEMBL29345646 0.92 MGLL (0.53) EPHX2DNM1FAAHMEN1KMT2A
SCHEMBL17033268 0.92 MGLL (0.53) EPHX2DNM1FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284650-B2 Quaternary fatty acid esters as corrosion inhibitors ECOLAB USA INC. (US) 2016-03-15 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 EPHX2 1127/4885DNM1 4578/4885FAAH 58/4885

“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.