SCHEMBL5029066

SCHEMBL5029066

CC/C=C/CCCCCCCC(=O)OCCN1CC[N+](C)=C1CCCCCCC/C=C/CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
NR1I2 O75469 2/20 0.39
PTGS2 P35354 2/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE4D Q08499 1/20 0.39
EPHX2 P34913 1/20 0.37
MGLL Q99685 1/20 0.36
DGKA P23743 2/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL10081648 0.97 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL16607665 0.94 DGKA (0.45) ALDH1A1EPHX2MGLLDGKAMAPT
SCHEMBL19169673 0.93 DGKA (0.44) ALDH1A1EPHX2MGLLDGKAMAPT
SCHEMBL5030222 0.87 LMNA (0.41) ALDH1A1CYP3A4TSHRMGLLDGKA
Water SCHEMBL6549696 0.80 MGLL (0.46) ALDH1A1EPHX2MGLLDGKAMAPT
Hydrochloric Acid SCHEMBL4074680 0.80 MGLL (0.46) ALDH1A1EPHX2MGLLDGKAMAPT
Hydrochloric Acid SCHEMBL421819 0.80 MGLL (0.46) ALDH1A1EPHX2MGLLDGKAMAPT
SCHEMBL10081647 0.78 EPHX2 (0.45) ALDH1A1TDP1EPHX2MAPTCNR1
SCHEMBL5032814 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL19035810 0.77 DEGS1 (0.35) ALDH1A1EPHX2DGKACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9688944-B2 Synergistic surfactant blends STEPAN COMPANY (US) 2017-06-27 US disclosed
US-20170158617-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2017-06-08 US disclosed
US-9573884-B2 Imidazoline amides and derivitives from natural oil metathesis STEPAN COMPANY (US) 2017-02-21 US disclosed
US-9573884-B2 Imidazoline amides and derivitives from natural oil metathesis STEPAN COMPANY (US) 2017-02-21 US disclosed
EP-2632256-B1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2017-02-01 EP disclosed
US-20150376118-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2015-12-31 US disclosed
US-9175245-B2 Fatty amides and derivatives from natural oil metathesis STEPAN COMPANY (US) 2015-11-03 US disclosed
US-9006144-B2 Glyphosate formulations based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2015-04-14 US disclosed
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2015-04-02 US disclosed
WO-2013162924-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN COMPANY (US) 2013-10-31 WO disclosed
US-20130237421-A1 GLYPHOSATE FORMULATIONS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY 2013-09-12 US disclosed
US-20130225470-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US disclosed
WO-2012061106-A1 GLYPHOSATE FORMULATIONS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEHPAN COMPANY (US) 2012-05-10 WO disclosed
WO-2012061094-A1 FATTY AMIDES 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 (5 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-20130225470-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS SGMS1, DEGS1, DGAT2 ALDH1A1 671/4885CYP3A4 2038/4885ALOX15 41/4885
US-20170158617-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 ALDH1A1 656/4885CYP3A4 2009/4885ALOX15 40/4885
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, AADAT, SQLE ALDH1A1 2198/4885CYP3A4 3205/4885ALOX15 1312/4885
US-20130237421-A1 GLYPHOSATE FORMULATIONS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS DGAT2, DGAT1, GPR18 ALDH1A1 4220/4885CYP3A4 3816/4885ALOX15 417/4885
US-20150376118-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 ALDH1A1 656/4885CYP3A4 2009/4885ALOX15 40/4885

“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.