SCHEMBL4775917

SCHEMBL4775917

COC(=O)C(C)=CCCC(C)=CCBr

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.38
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
TRPA1 O75762 1/20 0.35
PGGT1B P53609 1/20 0.35
MAPT P10636 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
SCHEMBL4775914 1.00 ALOX15 (0.41) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL5074186 0.85 ALOX15 (0.53) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL10323527 0.85 ALOX15 (0.53) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL4772516 0.85 ALOX15 (0.53) ALOX15ALDH1A1KMT2AFNTAFNTB
SCHEMBL9242251 0.82
SCHEMBL2616621 0.82
SCHEMBL9242249 0.82
SCHEMBL811389 0.79 TSHR (0.39) ALDH1A1FNTAFNTBKDM4EATM
SCHEMBL22917083 0.76 LMNA (0.38) ALOX15ALDH1A1FNTAFNTBPOLB
SCHEMBL13191195 0.75 TSHR (0.54) ALDH1A1KMT2AKDM4EATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879902-B1 COMPOSITION COMPRISING ONE OR MORE LYCOPHYLL DERIVATIVES CARDAX PHARMA INC (US) 2020-01-08 EP disclosed
US-7435861-B2 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance CARDAX PHARMACEUTICALS, INC. (US) 2008-10-14 US disclosed
US-20080221377-A1 Methods for synthesis of carotenoids, including analogs, derivatives, and synthetic and biological intermediates CARDAX PHARMACEUTICALS, INC. 2008-09-11 US disclosed
EP-1879902-A2 METHODS FOR SYNTHESIS OF CAROTENOIDS, INCLUDING ANALOGS, DERIVATIVES, AND SYNTHETIC AND BIOLOGICAL INTERMEDIATES Hawaii Biotech, Inc. (US) 2008-01-23 EP disclosed
WO-2007147163-A2 COMPOSITIONS COMPRISING CAROTENOID ANALOGS OR DERIVATIVES AND METHODS FOR SYNTHESIS CARDAX PHARMACEUTICALS, INC. (US) 2007-12-21 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-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance CARDAX PHARMA, INC. 2006-12-28 US disclosed
WO-2006119125-A2 METHODS FOR SYNTHESIS OF CAROTENOIDS, INCLUDING ANALOGS, DERIVATIVES, AND SYNTHETIC AND BIOLOGICAL INTERMEDIATES CARDAX PHARMACEUTICALS, INC. (US) 2006-11-09 WO 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 (10 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 ALOX15 159/4885ALDH1A1 287/4885KMT2A 964/4885
US-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance TXNRD2, TXN2, TXNRD1 ALOX15 35/4885ALDH1A1 2064/4885KMT2A 4392/4885
US-20080221377-A1 Methods for synthesis of carotenoids, including analogs, derivatives, and synthetic and biological intermediates HCCS, SQOR, CBR3 ALOX15 38/4885ALDH1A1 1671/4885KMT2A 3959/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 ALOX15 108/4885ALDH1A1 327/4885KMT2A 1183/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY ALOX15 67/4885ALDH1A1 436/4885KMT2A 1227/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 ALOX15 83/4885ALDH1A1 442/4885KMT2A 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 ALOX15 75/4885ALDH1A1 242/4885KMT2A 1057/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 ALOX15 110/4885ALDH1A1 667/4885KMT2A 406/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 ALOX15 208/4885ALDH1A1 374/4885KMT2A 1226/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 ALOX15 66/4885ALDH1A1 377/4885KMT2A 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.