SCHEMBL3162292

SCHEMBL3162292

COC1=C(C)C(=O)C(C)(C)C[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL5605733 1.00 IDO1 (0.33) IDO1TDO2MAPT
SCHEMBL14458060 0.76 MAPT (0.36) IDO1TDO2MAPT
SCHEMBL14458061 0.76 MAPT (0.36) IDO1TDO2MAPT
SCHEMBL3158686 0.75 MAPT (0.36) IDO1TDO2MAPT
SCHEMBL3632209 0.75 MAPT (0.36) IDO1TDO2MAPT
SCHEMBL3161230 0.75 MAPT (0.36) IDO1TDO2MAPT
SCHEMBL3659400 0.72 MAPT (0.34) MAPT
SCHEMBL3659823 0.72 MAPT (0.34) MAPT
SCHEMBL14279199 0.64 MAPT (0.46) IDO1TDO2MAPT
SCHEMBL13479444 0.64 MAPT (0.46) IDO1TDO2MAPT

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 19 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
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
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
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
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-20060183947-A1 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 PHARMA, INC. 2006-08-17 — — US disclosed
US-20060183185-A1 Method for the synthesis of astaxanthin CARDAX PHARMACEUTICALS, INC. 2006-08-17 — — US disclosed
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-08-10 — — US disclosed
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-07-27 — — US disclosed
US-20060155150-A1 Methods for the synthesis of lutein CARDAX PHARMACEUTICALS, INC. 2006-07-13 — — US disclosed
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-05-25 — — US disclosed
US-20060088905-A1 Methods for the synthesis of zeazanthin CARDAX PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed
US-20060088904-A1 Methods for the synthesis of astaxanthin CARDAX PHARMACEUTICALS, INC. 2006-04-27 — — 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 (9 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 IDO1 724/4885TDO2 183/4885MAPT 4592/4885
US-20060088904-A1 Methods for the synthesis of astaxanthin HSD17B7, CYP51A1, HSD11B1 IDO1 584/4885TDO2 198/4885MAPT 4401/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 IDO1 215/4885TDO2 118/4885MAPT 4658/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY IDO1 2416/4885TDO2 1368/4885MAPT 4097/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 IDO1 758/4885TDO2 251/4885MAPT 4321/4885
US-20060183947-A1 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 DHCR7, HSD17B7, HSD11B1 IDO1 331/4885TDO2 65/4885MAPT 4806/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 IDO1 803/4885TDO2 290/4885MAPT 3380/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 IDO1 1265/4885TDO2 332/4885MAPT 4150/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 IDO1 935/4885TDO2 502/4885MAPT 4514/4885

“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.

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