SCHEMBL5074186

SCHEMBL5074186

COC(=O)/C(C)=C/CC/C(C)=C/CO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
UGT1A1 P22309 1/20 0.52
TRPA1 O75762 1/20 0.38
SQLE Q14534 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL4772516 1.00 ALOX15 (0.53) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL10323527 1.00 ALOX15 (0.53) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL4775917 0.85 ALOX15 (0.41) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL4775914 0.85 ALOX15 (0.41) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL2933893 0.82
SCHEMBL14373877 0.82
SCHEMBL2727331 0.80 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL2727334 0.80 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL811389 0.79 TSHR (0.39) MAPTALDH1A1FNTAFNTBKDM4E
SCHEMBL2725711 0.79 KMT2A (0.59) ALOX15KMT2AMEN1CYP3A4MAPT

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 44 patents — showing the first 20. 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-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 US disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 US disclosed
US-9422259-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-23 US disclosed
US-9422259-B2 Synthetic transtaganolide and basiliolide products, derivatives thereof, and synthesis methods thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-23 US disclosed
US-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI INC. (JP) 2015-06-18 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
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 (11 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 159/4885KMT2A 964/4885MEN1 3207/4885
US-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance TXNRD2, TXN2, TXNRD1 ALOX15 35/4885KMT2A 4392/4885MEN1 3917/4885
US-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD ALOX15 1000/4885KMT2A 2734/4885MEN1 3649/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD ALOX15 977/4885KMT2A 2598/4885MEN1 3767/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 ALOX15 108/4885KMT2A 1183/4885MEN1 2220/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY ALOX15 67/4885KMT2A 1227/4885MEN1 2814/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 ALOX15 83/4885KMT2A 626/4885MEN1 1871/4885
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 75/4885KMT2A 1057/4885MEN1 2802/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 ALOX15 110/4885KMT2A 406/4885MEN1 1291/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 ALOX15 208/4885KMT2A 1226/4885MEN1 2223/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 ALOX15 66/4885KMT2A 1288/4885MEN1 3340/4885

“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.