SCHEMBL4406504

SCHEMBL4406504

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.70
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CNR1 P21554 1/20 0.48
DGKA P23743 2/20 0.47
EPHX2 P34913 1/20 0.45
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKCA P17252 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 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
SCHEMBL29255924 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL29255775 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL29255836 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL15359114 0.94 DNM1 (0.77) DNM1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL4392053 0.94 DNM1 (0.67) DNM1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL20017985 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL15359113 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL4624502 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL4624499 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL
SCHEMBL17401280 0.94 DNM1 (0.82) DNM1ALDH1A1ALOX15HSD17B10MGLL

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 14 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-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-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

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 DNM1 3483/4885ALDH1A1 858/4885CYP3A4 1185/4885
US-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, SGMS1 DNM1 3483/4885ALDH1A1 858/4885CYP3A4 1185/4885

“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.