SCHEMBL3590710

SCHEMBL3590710

C/C=C/c1ccc(C(=O)O)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.54
RARG P13631 15/20 0.54
RARA P10276 14/20 0.54
RXRA P19793 9/20 0.52
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
CYP26A1 O43174 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL9551739 0.81 RARB (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL5846340 0.79 RARB (0.77) RARBRARGRARARXRARXRB
SCHEMBL10549628 0.78 RARG (0.57) RARBRARGRARARXRARXRB
SCHEMBL8902795 0.77 RARB (0.59) RARBRARGRARARXRAKDM4E
SCHEMBL8902801 0.77 RARB (0.59) RARBRARGRARARXRAKDM4E
SCHEMBL7265393 0.77 RARG (0.63) RARBRARGRARARXRA
SCHEMBL8350702 0.72 RARG (0.64) RARBRARGRARARXRARXRB
SCHEMBL6473276 0.71 RXRA (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL6473274 0.71 RXRA (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL24259975 0.71 CYP26A1 (0.76) RARBRARGRARARXRAKDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392562-B1 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMA INC (US) 2018-03-07 EP disclosed
EP-1532108-B1 ASTAXANTHIN ESTERS FOR THE INHIBITION AND AMELIORATION OF DISEASE CARDAX PHARMA INC (US) 2016-06-29 EP disclosed
EP-2392562-A1 Structural carotenoid analogs for the inhibition and amelioration of disease Cardax Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7345091-B2 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7145025-B2 Structural carotenoid analogs for the inhibition and amelioration of disease HAWAII BIOTECH, INC. (US) 2006-12-05 US disclosed
US-20060229446-A1 Structural carotenoid analogs for the inhibition and amelioration of disease HAWAII BIOTECH, INC. 2006-10-12 US disclosed
US-20050148517-A1 Carotenoid ether analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. 2005-07-07 US disclosed
US-20050090469-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMA, INC. 2005-04-28 US disclosed
US-20050075316-A1 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2005-04-07 US disclosed
US-20050075337-A1 Pharmaceutical compositions including carotenoid analogs or derivatives for the inhabition and amelioration of disease CARDAX PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-17 US disclosed
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-17 US disclosed
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. 2005-01-13 US disclosed
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2005-01-13 US disclosed
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040162329-A1 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2004-08-19 US disclosed
WO-2004011423-A2 STRUCTURAL CAROTENOID ANALOGS FOR THE INHIBITION AND AMELIORATION OF DISEASE HAWAII BIOTECH, INC. (US) 2004-02-05 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-20050075337-A1 Pharmaceutical compositions including carotenoid analogs or derivatives for the inhabition and amelioration of disease CYP11B2, CYP11B1, NQO1 RARB 1416/4885RARG 1149/4885RARA 1063/4885
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 RARB 290/4885RARG 398/4885RARA 211/4885
US-20050148517-A1 Carotenoid ether analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 RARB 230/4885RARG 278/4885RARA 152/4885
US-20060229446-A1 Structural carotenoid analogs for the inhibition and amelioration of disease HCCS, CASP12, BAD RARB 783/4885RARG 710/4885RARA 488/4885
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels TTPA, PROC, RBP4 RARB 992/4885RARG 1284/4885RARA 683/4885
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels RBP1, PROC, RBP4 RARB 869/4885RARG 1043/4885RARA 480/4885
US-20050090469-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A RARB 446/4885RARG 582/4885RARA 384/4885
US-20050075316-A1 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CYP11B2, CYP11B1, PTGER1 RARB 1521/4885RARG 1479/4885RARA 1201/4885
US-20040162329-A1 Structural carotenoid analogs for the inhibition and amelioration of disease HCCS, CASP12, BAD RARB 783/4885RARG 710/4885RARA 488/4885
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease NFE2L2, GPX4, CYP11B2 RARB 679/4885RARG 604/4885RARA 404/4885
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A RARB 450/4885RARG 566/4885RARA 353/4885

“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.