SCHEMBL5030222

SCHEMBL5030222

C=CCCCCCCCC(=O)OCCN1CC[N+](C)=C1CCCCCCCC=C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DGKA P23743 1/20 0.35
TSHR P16473 1/20 0.34
FAAH O00519 2/20 0.34
MAPT P10636 2/20 0.33
ABCC4 O15439 1/20 0.33
MGLL Q99685 1/20 0.32
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5029066 0.87 ALDH1A1 (0.45) LMNAALDH1A1DGKATSHRMAPT
SCHEMBL16607665 0.87 DGKA (0.45) ALDH1A1DGKAMAPTMGLL
SCHEMBL19169673 0.86 DGKA (0.44) ALDH1A1DGKAMAPTMGLL
SCHEMBL10081648 0.84 ALDH1A1 (0.43) ALDH1A1DGKATSHRMAPTMGLL
SCHEMBL5032808 0.75 ALDH1A1 (0.40) LMNAALDH1A1DGKATSHRFAAH
SCHEMBL18531247 0.73 DGKA (0.44) LMNAALDH1A1DGKATSHRMAPT
Hydrochloric Acid SCHEMBL421819 0.73 MGLL (0.46) ALDH1A1DGKAMAPTMGLL
Water SCHEMBL6549696 0.73 MGLL (0.46) ALDH1A1DGKAMAPTMGLL
Hydrochloric Acid SCHEMBL4074680 0.73 MGLL (0.46) ALDH1A1DGKAMAPTMGLL
SCHEMBL14956744 0.73 ALDH1A1 (0.66) LMNAALDH1A1DGKATSHRMAPT

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 12 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
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-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-20130225470-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 US 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 (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-20130225470-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS SGMS1, DEGS1, DGAT2 LMNA 3734/4885ALDH1A1 671/4885DGKA 149/4885
US-20170158617-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 LMNA 3964/4885ALDH1A1 656/4885DGKA 127/4885
US-20150094383-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, AADAT, SQLE LMNA 2279/4885ALDH1A1 2198/4885DGKA 1350/4885
US-20150376118-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 LMNA 3964/4885ALDH1A1 656/4885DGKA 127/4885

“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.