SCHEMBL10108787

SCHEMBL10108787

CCCCCC/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.67
FAAH O00519 3/20 0.65
CNR1 P21554 4/20 0.63
CNR2 P34972 2/20 0.63
KDM4E B2RXH2 1/20 0.57
SOAT2 O75908 1/20 0.55
SOAT1 P35610 1/20 0.55
GPR119 Q8TDV5 1/20 0.54
DNM1 Q05193 2/20 0.54
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10034055 1.00 EPHX2 (0.67) EPHX2FAAHCNR1CNR2KDM4E
Hydrochloric Acid SCHEMBL28383398 0.99 EPHX2 (0.65) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL17453301 0.98 EPHX2 (0.64) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL10108760 0.95 EPHX2 (0.59) EPHX2FAAHCNR1CNR2KDM4E
SCHEMBL10108780 0.93 EPHX2 (0.67) EPHX2FAAHCNR1CNR2KDM4E
Miramistin Ion SCHEMBL2238282 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
SCHEMBL10034064 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
SCHEMBL11305761 0.93 DNM1 (0.62) EPHX2FAAHCNR1CNR2DNM1
Miramistin Ion SCHEMBL23922700 0.92 MEN1 (0.62) EPHX2FAAHCNR1CNR2DNM1
Miramistin Ion SCHEMBL2236560 0.92 MEN1 (0.63) EPHX2FAAHCNR1CNR2DNM1

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 10 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-20170211016-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2017-07-27 US disclosed
US-9688944-B2 Synergistic surfactant blends STEPAN COMPANY (US) 2017-06-27 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-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2015-04-02 US disclosed
US-20130225409-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
WO-2012061098-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2012-05-10 WO 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 2113/4885FAAH 77/4885CNR1 935/4885
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, AADAT, SQLE EPHX2 3237/4885FAAH 572/4885CNR1 1379/4885
US-20160024003-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS ABHD5, ABHD6, SGMS1 EPHX2 1904/4885FAAH 90/4885CNR1 1064/4885
US-20160016898-A1 QUATERNIZED FATTY AMINES, AMIDOAMINES AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS ABHD5, ABHD6, SGMS1 EPHX2 1849/4885FAAH 89/4885CNR1 953/4885

“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.