SCHEMBL3393620

SCHEMBL3393620

O=C1CCCCCCCCC(=O)CC1

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.92
TRIM33 Q9UPN9 2/20 0.92
ALDH1A1 P00352 1/20 0.92
KMT2A Q03164 1/20 0.35
CRBN Q96SW2 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 1/20 0.33
FKBP5 Q13451 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
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
SCHEMBL22235588 1.00 TRIM24 (0.92) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL5859315 1.00 TRIM24 (0.92) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL30542348 1.00 TRIM24 (0.92) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL5860290 1.00 TRIM24 (0.92) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL25380098 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
Cyclohexanone SCHEMBL3299 0.96
SCHEMBL112034 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL7823646 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
Cyclohexanone SCHEMBL713141 0.96
Cyclohexanone SCHEMBL386409 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN

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.