SCHEMBL2840387

SCHEMBL2840387

CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
GMNN O75496 1/20 0.36
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL2837999 0.92 MAPT (0.61) MAPTALOX15LMNATSHRHIF1A
SCHEMBL30002204 0.92 MAPT (0.61) MAPTALOX15LMNATSHRHIF1A
SCHEMBL2841013 0.92 MAPT (0.67) MAPTALOX15LMNATSHRHIF1A
SCHEMBL18582699 0.92 MAPT (0.67) MAPTALOX15LMNATSHRHIF1A
SCHEMBL42982 0.92 MAPT (0.67) MAPTALOX15LMNATSHRHIF1A
SCHEMBL39153 0.89 ALOX15 (0.49) MAPTALOX15LMNATSHRHIF1A
SCHEMBL17262425 0.89 ALOX15 (0.49) MAPTALOX15LMNATSHRHIF1A
SCHEMBL2835206 0.89 ALOX15 (0.49) MAPTALOX15LMNATSHRHIF1A
SCHEMBL18582451 0.87 MAPT (0.56) MAPTALOX15LMNATSHRHIF1A
SCHEMBL40179 0.87 MAPT (0.56) MAPTALOX15LMNATSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866323-B1 GLUCURONIDATED NEBIVOLOL MYLAN LAB INC (US) 2017-05-31 EP disclosed
EP-1848424-B1 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LAB INC (US) 2017-04-05 EP disclosed
EP-2808015-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2014-12-03 EP disclosed
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-17 US disclosed
US-7838552-B2 Compositions comprising nebivolol FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-23 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US 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
EP-2174658-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2010-04-14 EP disclosed
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1982711-A1 Compositions comprsing nebivolol MYLAN LABORATORIES, INC (US) 2008-10-22 EP disclosed
US-20050113372-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2005-05-26 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-20050065096-A1 Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2005-03-24 US disclosed
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-17 US disclosed
US-20050037995-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMA, INC. 2005-02-17 US disclosed
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. 2005-02-03 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

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-20050037995-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CPT1A, TXNRD2, PC MAPT 4758/4885ALOX15 29/4885LMNA 1111/4885
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 MAPT 4813/4885ALOX15 194/4885LMNA 29/4885
US-20050065096-A1 Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CYP11B2, CYP11B1, PTGER1 MAPT 3845/4885ALOX15 11/4885LMNA 969/4885
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels RBP1, PROC, RBP4 MAPT 3997/4885ALOX15 45/4885LMNA 2708/4885
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A MAPT 3961/4885ALOX15 86/4885LMNA 716/4885
US-20050090469-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A MAPT 3788/4885ALOX15 55/4885LMNA 1146/4885
US-20050075316-A1 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CYP11B2, CYP11B1, PTGER1 MAPT 3844/4885ALOX15 5/4885LMNA 1276/4885
US-20050113372-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of disease NOS1, NOS2, NOS3 MAPT 4175/4885ALOX15 9/4885LMNA 992/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 MAPT 1406/4885ALOX15 811/4885LMNA 862/4885
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease NFE2L2, GPX4, CYP11B2 MAPT 4360/4885ALOX15 18/4885LMNA 685/4885
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A MAPT 3908/4885ALOX15 51/4885LMNA 870/4885

“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.