SCHEMBL2831358

SCHEMBL2831358

COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
PGR P06401 1/20 0.54
ALDH1A1 P00352 1/20 0.37
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SQLE Q14534 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2833684 0.92 LMNA (0.39) NR1I2LMNAPGRALDH1A1
SCHEMBL2833656 0.91 NR1I2 (0.66) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2838626 0.89 NR1I2 (0.62) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2835821 0.89 NR1I2 (0.62) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2832404 0.89 NR1I2 (0.62) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL38776 0.88 NR1I2 (0.58) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2837988 0.88 NR1I2 (0.58) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2832502 0.87 NR1I2 (0.54) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2832988 0.85 LMNA (0.55) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2837914 0.85 LMNA (0.55) NR1I2LMNAPGRALDH1A1FNTA

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 40 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-20050065097-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. 2005-03-24 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-20050049248-A1 Carotenoid ether analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-03 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-20050009930-A1 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMA, INC. 2005-01-13 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 NR1I2 327/4885LMNA 1111/4885PGR 3696/4885
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 NR1I2 1749/4885LMNA 29/4885PGR 2684/4885
US-20050009930-A1 Carotenoid analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 NR1I2 1843/4885LMNA 34/4885PGR 2818/4885
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels TTPA, PROC, RBP4 NR1I2 1487/4885LMNA 3024/4885PGR 2454/4885
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels RBP1, PROC, RBP4 NR1I2 1858/4885LMNA 2708/4885PGR 2689/4885
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A NR1I2 124/4885LMNA 716/4885PGR 2761/4885
US-20050049248-A1 Carotenoid ether analogs or derivatives for controlling C-reactive protein levels PROC, TTPA, CYC1 NR1I2 1344/4885LMNA 2351/4885PGR 1989/4885
US-20050065097-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury TXNRD2, GPX4, PC NR1I2 263/4885LMNA 868/4885PGR 3443/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 NR1I2 967/4885LMNA 862/4885PGR 4054/4885
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease NFE2L2, GPX4, CYP11B2 NR1I2 645/4885LMNA 685/4885PGR 2215/4885
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A NR1I2 164/4885LMNA 870/4885PGR 3550/4885

“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.