SCHEMBL3799962

SCHEMBL3799962

C=CC/C=C/CC/C=C\CCC=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
HIF1A Q16665 1/20 0.33
FAAH O00519 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22444030 1.00 TRPV1 (0.38) TRPV1HIF1AFAAHALDH1A1
SCHEMBL3797798 1.00 TRPV1 (0.38) TRPV1HIF1AFAAHALDH1A1
SCHEMBL3188730 1.00 TRPV1 (0.38) TRPV1HIF1AFAAHALDH1A1
SCHEMBL20262121 1.00 TRPV1 (0.38) TRPV1HIF1AFAAHALDH1A1
SCHEMBL3188739 1.00 TRPV1 (0.38) TRPV1HIF1AFAAHALDH1A1
SCHEMBL3397325 1.00
SCHEMBL3397326 1.00
SCHEMBL15918572 0.85 TSHR (0.32)
SCHEMBL1300794 0.82 HIF1A (0.37) TRPV1HIF1AFAAHALDH1A1
SCHEMBL1300369 0.82 HIF1A (0.37) TRPV1HIF1AFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391596-B1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2018-06-20 EP claimed
US-8212082-B2 Process for the isolation of dodecatrienal and its use as aroma substance BASF SE (DE) 2012-07-03 US claimed
EP-2391596-A1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2011-12-07 EP claimed
WO-2010086313-A1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2010-08-05 WO claimed
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE BASF SE (DE) 2010-07-29 US claimed
CN-113631694-B Use of 4,8, 11-dodecatriene aldehyde for imparting clean fragrance impression to compositions 巴斯夫欧洲公司 2024-10-25 CN disclosed
US-20220154099-A1 USE OF 4,8,11-DODECATRIENAL TO IMPART A CLEAN AROMA IMPRESSION TO A COMPOSITION BASF SE (GI) 2022-05-19 US disclosed
EP-3938485-A1 USE OF 4,8,11-DODECATRIENAL TO IMPART A CLEAN AROMA IMPRESSION TO A COMPOSITION BASF SE (DE) 2022-01-19 EP disclosed
WO-2020187733-A1 USE OF 4,8,11-DODECATRIENAL TO IMPART A CLEAN AROMA IMPRESSION TO A COMPOSITION. BASF SE (DE) 2020-09-24 WO disclosed
US-8212082-B2 Process for the isolation of dodecatrienal and its use as aroma substance BASF SE (DE) 2012-07-03 US disclosed
US-8188320-B2 Process for preparing pure cyclododecanone BASF SE (DE) 2012-05-29 US disclosed
US-8188320-B2 Process for preparing pure cyclododecanone BASF SE (DE) 2012-05-29 US disclosed
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE BASF SE (DE) 2010-07-29 US disclosed
US-20100191018-A1 PROCESS FOR PREPARING PURE CYCLODODECANONE BASF SE (DE) 2010-07-29 US disclosed
US-20100191018-A1 PROCESS FOR PREPARING PURE CYCLODODECANONE BASF SE (DE) 2010-07-29 US 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-20100191018-A1 PROCESS FOR PREPARING PURE CYCLODODECANONE CCNA1, CYC1, CCNA2 TRPV1 3615/4885HIF1A 558/4885FAAH 2771/4885
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE CCNA1, OXER1, CCNA2 TRPV1 1196/4885HIF1A 172/4885FAAH 190/4885

“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.