SCHEMBL5200405

SCHEMBL5200405

CC(/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCCC(C)(C)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
PGR P06401 1/20 0.59
ALOX15 P16050 3/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SQLE Q14534 6/20 0.36
KMT2A Q03164 2/20 0.34
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
UGT1A1 P22309 1/20 0.32
PTGS1 P23219 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
SCHEMBL2834686 0.96 NR1I2 (0.68) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2836407 0.96 NR1I2 (0.68) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2833805 0.96 NR1I2 (0.68) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2836836 0.96 NR1I2 (0.68) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2832876 0.96 NR1I2 (0.68) NR1I2LMNAPGRALOX15FNTA
SCHEMBL116153 0.93 NR1I2 (0.71) NR1I2LMNAPGRALOX15FNTA
SCHEMBL116152 0.93 NR1I2 (0.71) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2833053 0.91 NR1I2 (0.50) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2838337 0.91 NR1I2 (0.50) NR1I2LMNAPGRALOX15FNTA
SCHEMBL2840460 0.91 NR1I2 (0.50) NR1I2LMNAPGRALOX15FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070014734-A1 Glucuronidated nebivolol metabolites MYLAN INC. (F/K/A MYLAN LABORATORIES INC.) 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 (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-20070014734-A1 Glucuronidated nebivolol metabolites UGT1A4, UGT1A3, UGT1A1 NR1I2 241/4885LMNA 1082/4885PGR 3024/4885

“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.