SCHEMBL5585706

SCHEMBL5585706

CC(C)N(CCOc1ncccc1OCc1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
MAPK14 Q16539 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.41
BCHE P06276 1/20 0.40
CNR2 P34972 1/20 0.40
GRM5 P41594 1/20 0.40
LIPE Q05469 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
PPIA P62937 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5585628 0.85 LTA4H (0.51) LTA4HMAPK14CHRNB2CHRNA4MCHR1
SCHEMBL5585853 0.81 CHRNB2 (0.49) LTA4HCHRNB2CHRNA4MCHR1PDE5A
SCHEMBL8526782 0.80 LTA4H (0.66) LTA4HMAPK14L3MBTL1MAPK1MAPT
SCHEMBL14514408 0.75 LTA4H (0.60) LTA4HMAPK14L3MBTL1MAPK1MAPT
SCHEMBL18523485 0.72 LTA4H (0.60) LTA4HMAPK14L3MBTL1MAPK1MAPT
SCHEMBL5520225 0.72 LTA4H (0.51) LTA4HMAPK14L3MBTL1MAPK1MAPT
SCHEMBL9824302 0.71 LTA4H (0.58) LTA4HMAPK14L3MBTL1MAPK1MAPT
SCHEMBL11147567 0.70 ADRB2 (0.54) KCNH2MAPK1TDP1ABCB1ALDH1A1
SCHEMBL5585671 0.69 SLC6A2 (0.46) CHRNB2CHRNA4ALDH1A1PDE5AMEN1
SCHEMBL14830850 0.69 LMNA (0.49) LTA4HKCNH2MCHR1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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 (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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A LTA4H 387/4885MAPK14 3456/4885CHRNB2 121/4885

“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.