SCHEMBL3154372

SCHEMBL3154372

COC1=C(C)C(=O)C(C)(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32

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
SCHEMBL11625099 0.77 ALDH1A1 (0.31)
SCHEMBL14458119 0.72 PGR (0.33)
SCHEMBL3154825 0.70 DUSP3 (0.34)
SCHEMBL17231977 0.69
SCHEMBL3205365 0.68 MAOA (0.38)
SCHEMBL3162802 0.68
SCHEMBL17419523 0.67
SCHEMBL17419561 0.67 ALDH1A1 (0.34)
SCHEMBL17419501 0.67 ESR1 (0.30)
SCHEMBL9817725 0.67 CA1 (0.33)

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
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 WO disclosed
EP-2089530-B1 PROCESS FOR THE PREPARATION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF EMPLOYING THE AZOARCUS PHENYLETHANOL DEHYDROGENASE BASF SE (DE) 2010-03-03 EP disclosed
EP-2089530-B1 PROCESS FOR THE PREPARATION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF EMPLOYING THE AZOARCUS PHENYLETHANOL DEHYDROGENASE BASF SE (DE) 2010-03-03 EP disclosed
US-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-02-18 US disclosed
US-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-02-18 US disclosed
US-20090325225-A1 METHOD FOR THE PRODUCTION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2009-12-31 US disclosed
US-20090325225-A1 METHOD FOR THE PRODUCTION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2009-12-31 US disclosed
US-20090325225-A1 METHOD FOR THE PRODUCTION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2009-12-31 US disclosed
EP-2089530-A2 METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF BASF SE (DE) 2009-08-19 EP disclosed
WO-2008116714-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2008-10-02 WO disclosed
WO-2008055988-A2 METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF USING AZOARCUS PHENYLETHANOL DEHYDROGENASE BASF SE (DE) 2008-05-15 WO disclosed
WO-2008055988-A2 METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF USING AZOARCUS PHENYLETHANOL DEHYDROGENASE BASF SE (DE) 2008-05-15 WO disclosed
US-7247752-B2 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin CARDAX PHARMACEUTICALS, INC. (US) 2007-07-24 US disclosed
US-7247752-B2 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin CARDAX PHARMACEUTICALS, INC. (US) 2007-07-24 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 (1 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-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES CYP8B1, CYP51A1, HSD3B1 L3MBTL1 4597/4885CYP19A1 39/4885CDC25A 3371/4885

“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.