SCHEMBL4397833

SCHEMBL4397833

CN(CCO)CCOC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OCCN(C)CCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
DNM1 Q05193 1/20 0.51
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DGKA P23743 2/20 0.47
PRKCA P17252 2/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL5345531 0.94 MGLL (0.62) MGLLDNM1EPHX2ALDH1A1DGKA
SCHEMBL5345533 0.94 MGLL (0.62) MGLLDNM1EPHX2ALDH1A1DGKA
SCHEMBL19519105 0.91 MGLL (0.45) MGLLDNM1EPHX2ALDH1A1CYP3A4
SCHEMBL5868436 0.88 DNM1 (0.69) MGLLDNM1EPHX2ALDH1A1ALOX15
SCHEMBL10062013 0.88 DNM1 (0.51) MGLLDNM1EPHX2ALDH1A1CYP3A4
SCHEMBL5868433 0.88 DNM1 (0.69) MGLLDNM1EPHX2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL5868346 0.86 DNM1 (0.67) MGLLDNM1EPHX2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL5868342 0.86 DNM1 (0.67) MGLLDNM1EPHX2ALDH1A1ALOX15
SCHEMBL4399170 0.86 MGLL (0.50) MGLLDNM1EPHX2ALDH1A1CYP3A4
SCHEMBL4406504 0.85 DNM1 (0.70) MGLLDNM1EPHX2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2633022-B1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN CO (US) 2019-01-23 EP disclosed
US-9796662-B2 Esteramines and derivatives from natural oil metathesis STEPAN COMPANY (US) 2017-10-24 US disclosed
US-9796662-B2 Esteramines and derivatives from natural oil metathesis STEPAN COMPANY (US) 2017-10-24 US disclosed
US-9303234-B2 Hard surface cleaners based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2016-04-05 US disclosed
US-9303234-B2 Hard surface cleaners based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2016-04-05 US disclosed
US-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-01-28 US disclosed
US-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-01-28 US disclosed
US-9187711-B2 Esteramines and derivatives from natural oil metathesis STEPAN COMPANY (US) 2015-11-17 US disclosed
US-9187711-B2 Esteramines and derivatives from natural oil metathesis STEPAN COMPANY (US) 2015-11-17 US disclosed
US-20130225469-A1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225859-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225469-A1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
US-20130225859-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
WO-2012061093-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2012-05-10 WO disclosed
WO-2012061103-A2 HARD SURFACE CLEANERS BASED ON COMPOSITONS DERIVED 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 (2 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-20130225859-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, SGMS1 MGLL 144/4885DNM1 3483/4885EPHX2 551/4885
US-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, SGMS1 MGLL 144/4885DNM1 3483/4885EPHX2 551/4885

“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.