SCHEMBL2838889

SCHEMBL2838889

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 2/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2836272 0.94 NR1I2 (0.42) PTGS1NR1I2LMNAPGR
SCHEMBL2835848 0.88 PTGS1 (0.46) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL30555741 0.84 NR1I2 (0.58) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL2841251 0.83 PTGS1 (0.41) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL2834930 0.83 PTGS1 (0.41) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL2834863 0.82 LMNA (0.47) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL2836050 0.82 NR1I2 (0.56) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL5200105 0.82 NR1I2 (0.56) PTGS1NR1I2LMNAPGRALDH1A1
SCHEMBL2840460 0.81 NR1I2 (0.50) NR1I2LMNAPGRALOX15
SCHEMBL2833053 0.81 NR1I2 (0.50) NR1I2LMNAPGRALOX15

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 12 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
EP-1866323-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC (US) 2007-12-19 EP 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
WO-2006083780-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC. (US) 2006-08-10 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 (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 915/4885NR1I2 554/4885LMNA 185/4885
US-20070014734-A1 Glucuronidated nebivolol metabolites UGT1A4, UGT1A3, UGT1A1 PTGS1 479/4885NR1I2 241/4885LMNA 1082/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 PTGS1 238/4885NR1I2 967/4885LMNA 862/4885
US-20070014733-A1 Hydroxylated nebivolol metabolites EDNRB, EDNRA, ADRB1 PTGS1 238/4885NR1I2 967/4885LMNA 862/4885

“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.