SCHEMBL887175

SCHEMBL887175

CCC=CCC=CC=CC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
ALDH1A1 P00352 7/20 0.46
TSHR P16473 1/20 0.46
PPARA Q07869 3/20 0.44
OXER1 Q8TDS5 5/20 0.43
CYP19A1 P11511 4/20 0.40
PPARG P37231 3/20 0.40
MAPT P10636 3/20 0.40
RXRA P19793 2/20 0.40
FFAR1 O14842 2/20 0.40
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
PTGS1 P23219 3/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
NR1I2 O75469 2/20 0.35
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL21808897 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL4962779 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL887174 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL5571559 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL4961081 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL3503768 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL4962670 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL21808896 1.00 TRPA1 (0.55) TRPA1ALDH1A1TSHRPPARAOXER1
SCHEMBL18941574 0.90
SCHEMBL16614408 0.90

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11252974-B2 Oxidation inhibitor, and food and drink containing fats and oils using same NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-02-22 US claimed
EP-3510010-A1 TASTE MODULATING ALDEHYDES Takasago International Corporation (JP) 2019-07-17 EP claimed
US-20190208806-A1 TASTE MODULATING ALDEHYDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-07-11 US claimed
US-20180077946-A1 OXIDATION INHIBITOR, AND FOOD AND DRINK CONTAINING FATS AND OILS USING SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2018-03-22 US claimed
WO-2018049352-A1 TASTE MODULATING ALDEHYDES TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2018-03-15 WO claimed
EP-3272835-A1 OXIDATION INHIBITOR, AND FOOD AND DRINK CONTAINING FATS AND OILS USING SAME National University Corporation Hokkaido University (JP) 2018-01-24 EP claimed
EP-1263299-B1 USE OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVOURING INGREDIENT FIRMENICH & CIE (CH) 2008-01-02 EP claimed
EP-1467959-B1 ACETALS OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVORING INGREDIENTS FIRMENICH & CIE (CH) 2007-01-10 EP claimed
US-20040242453-A1 Acetals of 2,4,7-decatrienal as perfuming or flavoring ingredients FIRMENICH SA (CH) 2004-12-02 US claimed
EP-1467959-A1 ACETALS OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVORING INGREDIENTS FIRMENICH SA (CH) 2004-10-20 EP claimed
US-6762163-B2 ADDING DECATRIENAL COMPOUND TO CONFER, IMPROVE, ENHANCE OR MODIFY A MANDARIN OR TANGERINE CHARACTER OF A FORMULATION OR PRODUCT FIRMENICH SA (CH) 2004-07-13 US claimed
WO-2003062183-A1 ACETALS OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVORING INGREDIENTS FIRMENICH SA (CH) 2003-07-31 WO claimed
US-20020193282-A1 2,4,7-Decatrienal as perfuming or flavoring ingredient FIRMENICH SA (CH) 2002-12-19 US claimed
EP-1263299-A1 USE OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVOURING INGREDIENT FIRMENICH SA (CH) 2002-12-11 EP claimed
WO-2001058282-A9 USE OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVOURING INGREDIENT FIRMENICH & CIE (CH) 2002-09-06 WO claimed
WO-2001058282-A1 USE OF 2,4,7-DECATRIENAL AS PERFUMING OR FLAVOURING INGREDIENT FIRMENICH SA (CH) 2001-08-16 WO claimed
US-12534745-B2 Lipoxygenase-catalyzed production of unsaturated C10-aldehydes from polyunsatrurated fatty acids FIRMENICH SA (CH) 2026-01-27 US disclosed
US-11977060-B1 Methods of detecting predators in algal cultures NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-05-07 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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 (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-20020193282-A1 2,4,7-Decatrienal as perfuming or flavoring ingredient TAS2R7, TAS2R16, TAS2R4 TRPA1 62/4885ALDH1A1 856/4885TSHR 2231/4885
US-20040242453-A1 Acetals of 2,4,7-decatrienal as perfuming or flavoring ingredients DRD5, CCNY, DRD1 TRPA1 119/4885ALDH1A1 146/4885TSHR 4519/4885
US-12534745-B2 Lipoxygenase-catalyzed production of unsaturated C10-aldehydes from polyunsatrurated fatty acids ALOX15B, ALOX12, ALOX15 TRPA1 1332/4885ALDH1A1 166/4885TSHR 2099/4885
US-20190208806-A1 TASTE MODULATING ALDEHYDES TAS2R10, TAS2R50, TAS2R1 TRPA1 31/4885ALDH1A1 39/4885TSHR 1741/4885

“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.