SCHEMBL3396332

SCHEMBL3396332

O=C1CCC/C=C\CCCC(=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.53
TRIM33 Q9UPN9 2/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.33
CYP3A4 P08684 2/20 0.31
ESR2 Q92731 2/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PTK2B Q14289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL3393618 1.00 TRIM24 (0.53) TRIM24TRIM33ALDH1A1MAPTCYP3A4
SCHEMBL30449589 0.97 TRIM24 (0.56) TRIM24TRIM33ALDH1A1MAPTCYP3A4
SCHEMBL31208052 0.94 TRIM24 (0.56) TRIM24TRIM33ALDH1A1MAPT
SCHEMBL1566775 0.91
SCHEMBL10767701 0.91 TRIM24 (0.59) TRIM24TRIM33ALDH1A1MAPTCYP3A4
SCHEMBL16417514 0.91 TRIM24 (0.50) TRIM24TRIM33ALDH1A1MAPTCYP3A4
SCHEMBL1566776 0.91
SCHEMBL10767696 0.91 TRIM24 (0.59) TRIM24TRIM33ALDH1A1MAPTCYP3A4
SCHEMBL7917256 0.91
SCHEMBL4702519 0.89 TRIM24 (0.43) 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 8 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
EP-2391597-A1 METHOD FOR PRODUCING PURE CYCLODODECANONE BASF SE (DE) 2011-12-07 EP disclosed
EP-2391596-A1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2011-12-07 EP disclosed
WO-2010086314-A1 METHOD FOR PRODUCING PURE CYCLODODECANONE BASF SE (DE) 2010-08-05 WO disclosed
WO-2010086313-A1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2010-08-05 WO 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.