SCHEMBL2831023

SCHEMBL2831023

COC(C)(C)C/C=C/C(C)=C/C=C/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)CCC(C)(C)OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 2/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
PTPN1 P18031 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
SCHEMBL2835848 0.92 PTGS1 (0.46) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL2841251 0.87 PTGS1 (0.41) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL2834930 0.87 PTGS1 (0.41) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL504505 0.83 ALDH1A1 (0.39) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL504504 0.83 ALDH1A1 (0.39) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL30555741 0.81 NR1I2 (0.58) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL2838889 0.81 PTGS1 (0.36) PTGS1ALDH1A1TDP1KDM4EMAPT
SCHEMBL2837930 0.79 LMNA (0.41) ALDH1A1TDP1KDM4EMAPTLMNA
SCHEMBL5200105 0.79 NR1I2 (0.56) PTGS1ALDH1A1ALOX15LMNANR1I2
SCHEMBL2836050 0.79 NR1I2 (0.56) PTGS1ALDH1A1ALOX15LMNANR1I2

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 10 patents. 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
EP-2174658-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2010-04-14 EP disclosed
EP-1982711-A1 Compositions comprsing nebivolol MYLAN LABORATORIES, INC (US) 2008-10-22 EP disclosed
US-20080161296-A1 Compositions comprising nebivolol DEY, INC. (F/K/A DEY LABORATORIES, INC.) 2008-07-03 US disclosed
US-20070014734-A1 Glucuronidated nebivolol metabolites MYLAN INC. (F/K/A MYLAN LABORATORIES INC.) 2007-01-18 US disclosed
US-20070014733-A1 Hydroxylated nebivolol metabolites DEY PHARMA, L.P. (F/K/A DEY L.P.) 2007-01-18 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 (4 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-20080161296-A1 Compositions comprising nebivolol ADRB1, ADRB3, ADRB2 PTGS1 915/4885ALDH1A1 1364/4885TDP1 3348/4885
US-20070014734-A1 Glucuronidated nebivolol metabolites UGT1A4, UGT1A3, UGT1A1 PTGS1 479/4885ALDH1A1 693/4885TDP1 2782/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 PTGS1 238/4885ALDH1A1 1391/4885TDP1 3331/4885
US-20070014733-A1 Hydroxylated nebivolol metabolites EDNRB, EDNRA, ADRB1 PTGS1 238/4885ALDH1A1 1391/4885TDP1 3331/4885

“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.