SCHEMBL5031142

SCHEMBL5031142

O=C(CCCCCCC/C=C/CCCCCCCC(=O)NCCO)NCCO

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HPGD P15428 2/20 0.76
▸ TRPV1 Q8NER1 2/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ BLM P54132 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ MAPT P10636 1/20 0.76
▸ ALOX12 P18054 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ FAAH O00519 2/20 0.68
▸ TRPM8 Q7Z2W7 1/20 0.68
▸ KCNK3 O14649 1/20 0.68
▸ CNR2 P34972 1/20 0.68
▸ EPHX2 P34913 2/20 0.58

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
SCHEMBL5031716 0.93 CNR1 (0.68) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL14974982 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL5417121 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL1109941 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
Oleoylethanolamide SCHEMBL239619 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL5405079 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL5032805 0.91 CNR1 (0.85) CNR1ALDH1A1HPGDTRPV1MEN1
Oleoylethanolamide SCHEMBL177713 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL2163579 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
Oleoylethanolamide SCHEMBL4243460 0.91 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322994-B2 Fatty amides and derivatives from natural oil metathesis STEPAN COMPANY (US) 2019-06-18 — — 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-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 CNR1 802/4885ALDH1A1 671/4885HPGD 1902/4885
US-20170158617-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 CNR1 830/4885ALDH1A1 656/4885HPGD 1901/4885
US-20150376118-A1 FATTY AMIDES AND DERIVATIVES FROM NATURAL OIL METATHESIS DEGS1, SGMS1, DGAT2 CNR1 830/4885ALDH1A1 656/4885HPGD 1901/4885
US-10322994-B2 Fatty amides and derivatives from natural oil metathesis DEGS1, SGMS1, DGAT2 CNR1 830/4885ALDH1A1 656/4885HPGD 1901/4885

“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.

Send feedback