SCHEMBL2953173

SCHEMBL2953173

CC(C)(C)[Si](C)(C)OC1C=CC(=O)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL4417335 1.00 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL5613785 1.00 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL968867 0.83 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL968866 0.83 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL852586 0.83 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL13486701 0.76 BACE1 (0.35)
SCHEMBL4911804 0.73 DUT (0.36)
SCHEMBL4790841 0.73 DUT (0.36)
SCHEMBL15007568 0.72
SCHEMBL13734264 0.70 NLRP3 (0.39) NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387936-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY MINAKEM (FR) 2021-12-16 US disclosed
EP-3922759-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY Minakem (FR) 2021-12-15 EP disclosed
EP-2064170-B1 CYCLOHEXANONE DERIVATIVES BIOGEM S C AR L (IT) 2018-10-31 EP disclosed
US-8367735-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2013-02-05 US disclosed
US-8367735-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2013-02-05 US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-20090325901-A1 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS ROSANTO PHARMACEUTICALS LTD. (GB) 2009-12-31 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-20060252839-A1 Pharmaceutical compositions BIOGEM S.C.A.R.L. (IT) 2006-11-09 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-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-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
US-20050124696-A1 Pharmaceutical compositions ROBERTS STANLEY M (GB) 2005-06-09 US disclosed
EP-1487789-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Ltd. (GB) 2004-12-22 EP disclosed
EP-1456163-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Limited (GB) 2004-09-15 EP disclosed
WO-2003082813-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-10-09 WO disclosed
WO-2003051807-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-06-26 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 (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-20060088904-A1 Methods for the synthesis of astaxanthin HSD17B7, CYP51A1, HSD11B1 NFKB1 2582/4885NFKB2 3088/4885RELA 1994/4885
US-20090325901-A1 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS ARL1, RPS6KA2, ADSL NFKB1 1698/4885NFKB2 752/4885RELA 2135/4885
US-20210387936-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY SCD, COASY, ECH1 NFKB1 690/4885NFKB2 796/4885RELA 884/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 NFKB1 1923/4885NFKB2 2376/4885RELA 1195/4885
US-20050124696-A1 Pharmaceutical compositions ADRM1, ARL1, UGT1A3 NFKB1 3041/4885NFKB2 1205/4885RELA 4351/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY NFKB1 2079/4885NFKB2 2636/4885RELA 1818/4885
US-20060252839-A1 Pharmaceutical compositions ADK, SYMPK, CYP2J2 NFKB1 2339/4885NFKB2 946/4885RELA 3920/4885
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 NFKB1 2486/4885NFKB2 2532/4885RELA 1159/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 NFKB1 2781/4885NFKB2 3312/4885RELA 2121/4885

“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.