SCHEMBL3397675

SCHEMBL3397675

O=C1CC/C=C/CCC(=O)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.62
TRIM33 Q9UPN9 2/20 0.62
ALDH1A1 P00352 2/20 0.59
ESR2 Q92731 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
SCHEMBL3395264 1.00 TRIM24 (0.62) TRIM24TRIM33ALDH1A1ESR2
SCHEMBL15467721 0.94 TRIM24 (0.56) TRIM24TRIM33ALDH1A1
SCHEMBL15467720 0.94 TRIM24 (0.56) TRIM24TRIM33ALDH1A1
SCHEMBL2196280 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL4584382 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL236422 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL2196275 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL4326621 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL4326613 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1
SCHEMBL4584380 0.92 TRIM24 (0.58) TRIM24TRIM33ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 TRIM24 3392/4885TRIM33 4369/4885ALDH1A1 503/4885
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE CCNA1, OXER1, CCNA2 TRIM24 2928/4885TRIM33 4416/4885ALDH1A1 80/4885

“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.