SCHEMBL4437779

SCHEMBL4437779

CC/C=C/CC/C=C/C=C/C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 1/20 0.58
TRPA1 O75762 1/20 0.55
PPARA Q07869 3/20 0.48
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP19A1 P11511 4/20 0.35
PPARG P37231 3/20 0.35
OXER1 Q8TDS5 3/20 0.35
MAPT P10636 3/20 0.35
RXRA P19793 2/20 0.35
FFAR1 O14842 2/20 0.35
PTGS1 P23219 3/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13637803 1.00 ALDH1A1 (0.58) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL4437781 1.00 ALDH1A1 (0.58) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL10070899 0.93 PPARA (0.58) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL8579054 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL1116445 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL28393973 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL8816152 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL309546 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL18954266 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1
SCHEMBL3110731 0.90 TRPA1 (0.68) ALDH1A1TSHRTRPA1PPARACNR1

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-9554990-B2 Cholecystokinin secretion-promoting composition J-OIL MILLS, INC. (JP) 2017-01-31 US disclosed
US-20160106668-A1 CHOLECYSTOKININ SECRETION-PROMOTING COMPOSITION J-OIL MILLS, INC. (JP) 2016-04-21 US disclosed
US-20150164823-A1 CHOLECYSTOKININ SECRETION-PROMOTING COMPOSITION J-OIL MILLS, INC. (JP) 2015-06-18 US disclosed
CN-104661659-A Cholecystokinin secretion-promoting composition J OIL MILLS INC 2015-05-27 CN disclosed
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-7141686-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) 2006-11-28 US 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
US-20050010062-A1 E2,E4,Z8-UNDECATRIENOIC ACID AND ESTER AND CARBOXAMIDE DERIVATIVES THEREOF, ORGANOLEPTIC USES THEREOF AND PROCESSES FOR PREPARING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-01-13 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 (2 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-20050010062-A1 E2,E4,Z8-UNDECATRIENOIC ACID AND ESTER AND CARBOXAMIDE DERIVATIVES THEREOF, ORGANOLEPTIC USES THEREOF AND PROCESSES FOR PREPARING SAME ESRRA, TECR, TAS2R8 ALDH1A1 2523/4885TSHR 457/4885TRPA1 439/4885
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 997/4885TSHR 2983/4885TRPA1 273/4885

“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.