SCHEMBL17036655

SCHEMBL17036655

CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCN(C)C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.68
EPHX2 P34913 2/20 0.61
DGKA P23743 2/20 0.57
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CNR1 P21554 1/20 0.52
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKCA P17252 1/20 0.49
FAAH O00519 2/20 0.47

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 SCHEMBL28588138 0.99 DNM1 (0.67) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL15359113 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL29255836 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL29255775 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL4624499 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL29255924 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL17401280 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL4624502 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
SCHEMBL20017985 0.92 DNM1 (0.82) DNM1EPHX2DGKAMGLLALDH1A1
Hydrochloric Acid SCHEMBL21778071 0.90 DNM1 (0.79) DNM1EPHX2DGKAMGLLALDH1A1

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
EP-3110905-B1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC (US) 2024-07-17 EP 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 4578/4885EPHX2 1127/4885DGKA 650/4885

“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.