SCHEMBL3259174

SCHEMBL3259174

O=C1C=CCCCCCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CDC25B P30305 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CYP2A6 P11509 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL868289 1.00 ALDH1A1 (0.46) ALDH1A1CDC25BTRIM24TRIM33CYP2A6
SCHEMBL868287 1.00 ALDH1A1 (0.46) ALDH1A1CDC25BTRIM24TRIM33CYP2A6
SCHEMBL3262868 1.00 ALDH1A1 (0.46) ALDH1A1CDC25BTRIM24TRIM33CYP2A6
SCHEMBL3259171 1.00 ALDH1A1 (0.46) ALDH1A1CDC25BTRIM24TRIM33CYP2A6
SCHEMBL4619035 0.98 ALDH1A1 (0.48) ALDH1A1CDC25BTRIM24TRIM33CA1
SCHEMBL4619030 0.98 ALDH1A1 (0.48) ALDH1A1CDC25BTRIM24TRIM33CA1
SCHEMBL3334082 0.90
SCHEMBL3682073 0.86 ALDH1A1 (0.38) ALDH1A1CDC25BTRIM24TRIM33
SCHEMBL2678350 0.84 ALDH1A1 (0.44) ALDH1A1CDC25BTRIM24TRIM33CA1
SCHEMBL2678345 0.84 ALDH1A1 (0.44) ALDH1A1CDC25BTRIM24TRIM33CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391597-B1 METHOD FOR PRODUCING PURE CYCLODODECANONE BASF SE (DE) 2018-08-22 EP disclosed
EP-2391596-B1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2018-06-20 EP 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
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-2010086313-A1 METHOD FOR ISOLATING DODECATRIENAL AND USE THEREOF AS A FLAVOURING BASF SE (DE) 2010-08-05 WO disclosed
WO-2010086314-A1 METHOD FOR PRODUCING PURE CYCLODODECANONE 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
US-7692045-B2 Method for purifying and concentrating dinitrogen monoxide BASF AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-7649119-B2 Method for the production of cyclic ketones BASF SE (DE) 2010-01-19 US disclosed
US-20090326276-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-12-31 US disclosed
EP-2041060-B1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-12-16 EP disclosed
US-20090281357-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-11-12 US disclosed
EP-2041060-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-04-01 EP disclosed
US-7449606-B2 reacting cyclododecatriene with dinitrogen monoxide to obtain cyclododecadienone and hydrogenating the resulting cyclododecadienone; in particular to give cyclododecanone an important intermediate for the preparation of, for example, laurolactam BASF SE (DE) 2008-11-11 US disclosed
US-20080255393-A1 Method for Purifying and Concentrating Dinitrogen Monoxide BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 US disclosed
WO-2008000757-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF AKTIENGESELLSCHAFT (DE) 2008-01-03 WO disclosed
US-20060281952-A1 Method for producing a ketone SCHLUMBERGER TECHNOLOGY CORPORATION 2006-12-14 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 ALDH1A1 503/4885CDC25B 157/4885TRIM24 3392/4885
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE CCNA1, OXER1, CCNA2 ALDH1A1 80/4885CDC25B 778/4885TRIM24 2928/4885

“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.