SCHEMBL5605434

SCHEMBL5605434

CC1(C)CC(=O)C=C(C=O)[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL5605691 1.00 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL5606210 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL6557553 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL14458137 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL5710091 0.61 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL11784222 0.61 ABCB11 (0.32) LMNAHIF1A
SCHEMBL19649525 0.60 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL14458046 0.60 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ALMNAHIF1A
SCHEMBL124554 0.60 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNA
SCHEMBL11219012 0.60 TSHR (0.31) ALDH1A1KMT2ALMNA

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 287/4885MEN1 3207/4885KMT2A 964/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 ALDH1A1 327/4885MEN1 2220/4885KMT2A 1183/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY ALDH1A1 436/4885MEN1 2814/4885KMT2A 1227/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 ALDH1A1 442/4885MEN1 1871/4885KMT2A 626/4885
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 242/4885MEN1 2802/4885KMT2A 1057/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 ALDH1A1 667/4885MEN1 1291/4885KMT2A 406/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 ALDH1A1 374/4885MEN1 2223/4885KMT2A 1226/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 ALDH1A1 377/4885MEN1 3340/4885KMT2A 1288/4885

“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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