SCHEMBL5630494

SCHEMBL5630494

COC(=O)CCC(=O)N1CCCC1COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.59
FFAR1 O14842 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5AP P20292 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL5630488 1.00 LTA4H (0.59) LTA4HFFAR1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5631838 0.88 LTA4H (0.72) LTA4HFFAR1HPGDRAB9ANPC1
SCHEMBL5631841 0.88 LTA4H (0.72) LTA4HFFAR1HPGDRAB9ANPC1
SCHEMBL4318962 0.85 LTA4H (0.78) LTA4HFFAR1SMN1; SMN2L3MBTL1CHRNB2
SCHEMBL4318965 0.85 LTA4H (0.78) LTA4HFFAR1SMN1; SMN2L3MBTL1CHRNB2
SCHEMBL4313972 0.83 LTA4H (0.79) LTA4HFFAR1CHRNB2CHRNA5CHRNA7
SCHEMBL4313966 0.83 LTA4H (0.79) LTA4HFFAR1CHRNB2CHRNA5CHRNA7
SCHEMBL4314195 0.83 LTA4H (0.79) LTA4HFFAR1CHRNB2CHRNA5CHRNA7
SCHEMBL4446811 0.82 LTA4H (0.78) LTA4HFFAR1SMN1; SMN2L3MBTL1
SCHEMBL4446809 0.82 LTA4H (0.78) LTA4HFFAR1SMN1; SMN2L3MBTL1

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-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885FFAR1 668/4885SMN1; SMN2 4829/4885

“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.