SCHEMBL4437384

SCHEMBL4437384

CCCCCC/C=C/C=C/C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
MAPT P10636 1/20 0.65
FASN P49327 1/20 0.59
KDM4E B2RXH2 3/20 0.58
FAAH O00519 3/20 0.58
SOAT1 P35610 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
TSHR P16473 1/20 0.52

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
SCHEMBL31626922 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL2168292 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943272 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL905183 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL1134778 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL5614117 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943539 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL5333216 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943538 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943270 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH

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 997/4885MAPT 3602/4885FASN 140/4885

“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.