SCHEMBL5074574

SCHEMBL5074574

CCOC(=O)C=CCCCC(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
NR1I2 O75469 1/20 0.62
PGR P06401 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
PTGS2 P35354 1/20 0.62
PDE4D Q08499 1/20 0.62
ALDH1A1 P00352 4/20 0.58
ALOX15 P16050 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
MGLL Q99685 1/20 0.44
THRB P10828 1/20 0.43
CNR1 P21554 1/20 0.43
USP2 O75604 1/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL5074573 1.00 MAPT (0.66) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL29980649 0.90 MAPT (0.58) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL25624428 0.89 MAPT (0.62) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL11101562 0.89 MAPT (0.59) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL19284481 0.89 MAPT (0.59) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL5168966 0.89 ALDH1A1 (0.59) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL5168959 0.89 ALDH1A1 (0.59) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL11330152 0.86 NR1I2 (0.79) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL11330132 0.86 NR1I2 (0.79) MAPTNR1I2PGRADORA3PTGS2
SCHEMBL22100454 0.86 MAPT (0.85) MAPTNR1I2PGRADORA3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101092372-B Method for practical synthesizing optically active alpha amino pimelic acid ester or monoester YAOMINGKANGDE NEW MEDICINES DEV CO LTD SHANGHAI 2011-09-21 CN 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
CN-101092372-A Method for practical synthesizing optically active alpha amino pimelic acid ester or monoester YAOMINGKANGDE NEW MEDICINES DE (CN) 2007-12-26 CN 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 MAPT 4401/4885NR1I2 1845/4885PGR 3398/4885
US-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance TXNRD2, TXN2, TXNRD1 MAPT 4552/4885NR1I2 968/4885PGR 2575/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 MAPT 4658/4885NR1I2 1671/4885PGR 2015/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY MAPT 4097/4885NR1I2 2270/4885PGR 2014/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 MAPT 3380/4885NR1I2 2078/4885PGR 3438/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 MAPT 4514/4885NR1I2 1576/4885PGR 3208/4885

“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.