SCHEMBL15218340

SCHEMBL15218340

CC(=O)CCCCCCC/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
SLC6A5 Q9Y345 2/20 0.52
LPAR1 Q92633 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 1/20 0.49
LPAR2 Q9HBW0 1/20 0.46

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
SCHEMBL10072334 0.94 EPHX2 (0.59) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL10072332 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL15250808 0.88 EPHX2 (0.65) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL31686813 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL19652437 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL19652439 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL2608068 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL10057830 0.88 EPHX2 (0.57) EPHX2SLC6A5LPAR1KDM4ECNR1
Hydrochloric Acid SCHEMBL6416042 0.87 EPHX2 (0.68) EPHX2SLC6A5LPAR1KDM4ECNR1
Hydrochloric Acid SCHEMBL4624712 0.87 EPHX2 (0.68) EPHX2SLC6A5LPAR1KDM4ECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815780-B2 Quaternized fatty amines, amidoamines and their derivatives from natural oil STEPAN COMPANY (US) 2017-11-14 US disclosed
US-9416099-B2 Quaternized fatty amines, amidoamines and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2016-08-16 US disclosed
US-20160024003-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-01-28 US disclosed
US-20160016898-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPHAN COMPANY (US) 2016-01-21 US disclosed
US-9193936-B2 Quaternized fatty amines, amidoamines and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2015-11-24 US disclosed
US-9006144-B2 Glyphosate formulations based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2015-04-14 US disclosed
US-20130237421-A1 GLYPHOSATE FORMULATIONS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY 2013-09-12 US disclosed
US-20130225409-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 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 (4 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-20130225409-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS ABHD5, ABHD6, SGMS1 EPHX2 2113/4885SLC6A5 2666/4885LPAR1 671/4885
US-20130237421-A1 GLYPHOSATE FORMULATIONS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS DGAT2, DGAT1, GPR18 EPHX2 1197/4885SLC6A5 69/4885LPAR1 77/4885
US-20160024003-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS ABHD5, ABHD6, SGMS1 EPHX2 1904/4885SLC6A5 2971/4885LPAR1 576/4885
US-20160016898-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS ABHD5, ABHD6, SGMS1 EPHX2 1849/4885SLC6A5 2785/4885LPAR1 619/4885

“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.