SCHEMBL5656954

SCHEMBL5656954

COC(=O)c1ccc(CN(C)CCCN(C)CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.51
SIGMAR1 Q99720 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP4A11 Q02928 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4F2 P78329 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL846524 0.82 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP4A11
SCHEMBL5776546 0.81 CYP4A11 (0.57) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP4A11
SCHEMBL22815180 0.81 LTA4H (0.48) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL27220639 0.81 LOXL2 (0.56) KDM4EALDH1A1SMN1; SMN2CYP4A11LOXL2
SCHEMBL5775042 0.80 LOXL2 (0.56) KDM4EALDH1A1SMN1; SMN2CYP4A11LOXL2
SCHEMBL1638297 0.80 SIGMAR1 (0.47) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP4A11
SCHEMBL13052122 0.79 ACHE (0.66) KDM4EALDH1A1SMN1; SMN2LOXL2MEN1
SCHEMBL9826363 0.79 SMN1; SMN2 (0.58) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP4A11
SCHEMBL5312334 0.79 LTA4H (0.85) LTA4H
SCHEMBL3036189 0.78 PRMT1 (0.52) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP4A11

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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885SIGMAR1 353/4885KDM4E 1019/4885

“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.