SCHEMBL6518905

SCHEMBL6518905

CC(C)=CCC/C(C)=C/CC/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/CC(C)(C)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.68
LMNA P02545 1/20 0.68
PGR P06401 1/20 0.68
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
KMT2A Q03164 3/20 0.42
ALOX15 P16050 3/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
UGT1A1 P22309 1/20 0.39
GGPS1 O95749 2/20 0.38
SQLE Q14534 3/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2838745 0.97 NR1I2 (0.71) NR1I2LMNAPGRFNTAFNTB
SCHEMBL39207 0.86 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL116111 0.86 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2838750 0.86 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2832254 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2836986 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB
SCHEMBL323577 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB
SCHEMBL30578160 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2834897 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2837840 0.85 NR1I2 (0.93) NR1I2LMNAPGRFNTAFNTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 NR1I2 967/4885LMNA 862/4885PGR 4054/4885

“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.