SCHEMBL3271841

SCHEMBL3271841

O=CC1CC=CCCC=CCCC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3271836 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL3271833 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL11050564 0.98
SCHEMBL7171712 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL7171718 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL42869 0.83
SCHEMBL16136558 0.83
SCHEMBL1230434 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL1230432 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL17656204 0.76 ADH1A (0.32) ALDH1A1ALOX15

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 14 patents. 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
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
EP-2041059-B1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2010-06-16 EP disclosed
EP-2041060-B1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-12-16 EP disclosed
EP-2041059-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-04-01 EP disclosed
EP-2041060-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF SE (DE) 2009-04-01 EP disclosed
WO-2008000756-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF AKTIENGESELLSCHAFT (DE) 2008-01-03 WO disclosed
WO-2008000757-A1 METHOD FOR THE PRODUCTION OF CYCLIC KETONES BASF AKTIENGESELLSCHAFT (DE) 2008-01-03 WO 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 503/4885ALOX15 142/4885
US-20100190869-A1 PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE CCNA1, OXER1, CCNA2 ALDH1A1 80/4885ALOX15 59/4885

“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.