Sugi Predict

Sugi Predict / Compounds / SCHEMBL2836348

SCHEMBL2836348

SCHEMBL2836348

CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.54
▸ MAPT P10636 4/20 0.48
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 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 0.87 MAPT (0.61) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL30002204 0.87 MAPT (0.61) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL40179 0.85 MAPT (0.56) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL18582451 0.85 MAPT (0.56) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL2840387 0.84 MAPT (0.53) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL2832598 0.81 MAPT (0.76) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL545399 0.81 MAPT (0.76) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL115586 0.78 ALOX15 (0.69) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL14031560 0.78 ALOX15 (0.69) ALOX15MAPTTSHRHIF1AGMNN
SCHEMBL15286468 0.78 ALOX15 (0.69) ALOX15MAPTTSHRHIF1AGMNN

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 ALOX15 29/4885MAPT 4758/4885TSHR 3827/4885
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 ALOX15 194/4885MAPT 4813/4885TSHR 4469/4885
US-20050009930-A1 Carotenoid analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 ALOX15 250/4885MAPT 4766/4885TSHR 4220/4885
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels TTPA, PROC, RBP4 ALOX15 38/4885MAPT 3857/4885TSHR 2941/4885
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels RBP1, PROC, RBP4 ALOX15 45/4885MAPT 3997/4885TSHR 3147/4885
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A ALOX15 86/4885MAPT 3961/4885TSHR 2664/4885
US-20050049248-A1 Carotenoid ether analogs or derivatives for controlling C-reactive protein levels PROC, TTPA, CYC1 ALOX15 116/4885MAPT 4035/4885TSHR 2794/4885
US-20050065097-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury TXNRD2, GPX4, PC ALOX15 74/4885MAPT 4751/4885TSHR 3745/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 ALOX15 811/4885MAPT 1406/4885TSHR 1732/4885
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease NFE2L2, GPX4, CYP11B2 ALOX15 18/4885MAPT 4360/4885TSHR 3520/4885
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A ALOX15 51/4885MAPT 3908/4885TSHR 3061/4885

“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.