SCHEMBL4437387

SCHEMBL4437387

CC/C=C\CCCC/C=C/C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
CYP19A1 P11511 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
OXER1 Q8TDS5 2/20 0.48
PTGS1 P23219 2/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FFAR1 O14842 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4846639 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL2209835 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL2209837 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL2482053 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL3959907 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL28050942 0.91 PPARA (0.47) ALDH1A1F7F3CYP19A1KMT2A
SCHEMBL8386296 0.86 MAPT (0.47) ALDH1A1KMT2ACYP3A4KDM4EMAPT
SCHEMBL8386298 0.86 MAPT (0.47) ALDH1A1KMT2ACYP3A4KDM4EMAPT
SCHEMBL2211559 0.85 FAAH (0.62) F7F3CYP19A1KMT2ACYP3A4
SCHEMBL28759437 0.85 FAAH (0.68) F7F3CYP19A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112135-A2 E2, E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-10-28 EP claimed
US-7098350-B2 E2,E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-08-29 US claimed
US-20050197387-A1 E2,E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGARANCES INC. 2005-09-08 US claimed
EP-1496042-A2 E2, E4,Z8-Undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-12 EP claimed
EP-2112135-B1 E2, E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 2013-06-19 EP disclosed
EP-1496042-B1 E2, E4,Z8-Undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 2009-11-11 EP disclosed
EP-2112135-A2 E2, E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-10-28 EP disclosed
US-7098350-B2 E2,E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-08-29 US disclosed
US-20050197387-A1 E2,E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGARANCES INC. 2005-09-08 US disclosed
EP-1496042-A2 E2, E4,Z8-Undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-12 EP 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 (1 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-20050197387-A1 E2,E4,Z8-undecatrienoic acid and ester and carboxamide derivatives thereof, organoleptic uses thereof and processes for preparing same UBE4A, TAS2R8, CUTA ALDH1A1 997/4885F7 282/4885F3 939/4885

“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.