Sugi Predict

Sugi Predict / Compounds / SCHEMBL5605099

SCHEMBL5605099

SCHEMBL5605099

CC1(C)CC(=O)C2=C(C1)C(=O)O2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAOA P21397 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL17122007 0.79 ALDH1A1 (0.46) ALDH1A1MAOAL3MBTL1NPSR1TDP1
SCHEMBL2324941 0.69 — —
SCHEMBL7213619 0.65 ALDH1A1 (0.42) ALDH1A1MAOAL3MBTL1NPSR1TDP1
SCHEMBL2645904 0.65 ALDH1A1 (0.35) ALDH1A1MAOANPSR1TDP1MEN1
SCHEMBL1984336 0.64 ALDH1A1 (0.41) ALDH1A1MAOAL3MBTL1NPSR1TDP1
SCHEMBL159517 0.63 ALDH1A1 (0.44) ALDH1A1MAOAL3MBTL1NPSR1TDP1
Benzene SCHEMBL28318743 0.62 BRD4 (0.40) ALDH1A1MAOANPSR1TDP1MEN1
SCHEMBL11934162 0.62 MAOA (0.43) ALDH1A1MAOAL3MBTL1NPSR1TDP1
SCHEMBL3205365 0.61 MAOA (0.38) ALDH1A1MAOANPSR1TDP1MEN1
Benzene SCHEMBL28213036 0.61 BRD4 (0.39) ALDH1A1MAOANPSR1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006039685-A2 METHODS FOR SYNTHESIS OF CHIRAL INTERMEDIATES OF CAROTENOIDS, CAROTENOID ANALOGS, AND CAROTENOID DERIVATIVES HAWAII BIOTECH, INC. (US) 2006-04-13 — — 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 (8 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-20060088904-A1 Methods for the synthesis of astaxanthin HSD17B7, CYP51A1, HSD11B1 ALDH1A1 287/4885MAOA 1899/4885L3MBTL1 3287/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 ALDH1A1 327/4885MAOA 1495/4885L3MBTL1 3732/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY ALDH1A1 436/4885MAOA 2484/4885L3MBTL1 3167/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 ALDH1A1 442/4885MAOA 1308/4885L3MBTL1 1528/4885
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 ALDH1A1 242/4885MAOA 2584/4885L3MBTL1 2872/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 ALDH1A1 667/4885MAOA 1772/4885L3MBTL1 2978/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 ALDH1A1 374/4885MAOA 2173/4885L3MBTL1 3656/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 ALDH1A1 377/4885MAOA 2460/4885L3MBTL1 3184/4885

“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.