SCHEMBL12446352

SCHEMBL12446352

CCOC(=O)CC(C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 1/20 0.46
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL12446349 0.91 ALOX15 (0.56) ALOX15ALDH1A1
SCHEMBL18735985 0.91 ALOX15 (0.56) ALOX15ALDH1A1
SCHEMBL18736150 0.91 ALOX15 (0.56) ALOX15ALDH1A1
SCHEMBL29545888 0.87 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTB
SCHEMBL11799109 0.85 ALDH1A1 (0.43) ALOX15ALDH1A1FNTAFNTBKMT2A
SCHEMBL11804078 0.85 ALDH1A1 (0.43) ALOX15ALDH1A1FNTAFNTBKMT2A
SCHEMBL9414526 0.81 ALDH1A1 (0.58) ALOX15ALDH1A1FNTAFNTBKMT2A
SCHEMBL9414523 0.81 ALDH1A1 (0.58) ALOX15ALDH1A1FNTAFNTBKMT2A
SCHEMBL11806478 0.81 ALDH1A1 (0.44) ALOX15ALDH1A1FNTAFNTBKMT2A
SCHEMBL11801501 0.81 ALDH1A1 (0.44) ALOX15ALDH1A1FNTAFNTBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139835-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-05-10 EP disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
EP-1802561-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2011-01-12 EP disclosed
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2010-06-17 US disclosed
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2010-06-17 US disclosed
US-7534921-B2 Method for the production of optically active carbonyl BASF AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-7534921-B2 Method for the production of optically active carbonyl BASF AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
WO-2008132057-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2008-11-06 WO disclosed
US-20080269528-A1 Method for the Production of Optically Active Carbonyl BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080269528-A1 Method for the Production of Optically Active Carbonyl BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 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-20080269528-A1 Method for the Production of Optically Active Carbonyl CBR1, CBR3, HMOX1 ALOX15 141/4885ALDH1A1 38/4885FNTA 224/4885
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS HMOX1, HMOX2, CBR1 ALOX15 105/4885ALDH1A1 160/4885FNTA 376/4885

“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.