SCHEMBL5405877

SCHEMBL5405877

NC(=CC(=O)OCc1ccccc1)COCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
HTT P42858 2/20 0.49
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPY1R P25929 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TEAD3 Q99594 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
EGFR P00533 2/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL5405873 1.00 LTA4H (0.51) LTA4HHTTKDM4ENPC1RAB9A
SCHEMBL5414125 0.99 LTA4H (0.50) LTA4HHTTKDM4ENPC1RAB9A
SCHEMBL5414119 0.99 LTA4H (0.50) LTA4HHTTKDM4ENPC1RAB9A
SCHEMBL5402583 0.90 ALDH1A1 (0.53) LTA4HKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL5410167 0.77 LTA4H (0.54) LTA4HHTTKDM4ENPC1RAB9A
SCHEMBL5396713 0.76 LTA4H (0.53) LTA4HHTTKDM4ENPC1RAB9A
SCHEMBL5415176 0.74 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7604181 0.74 SMN1; SMN2 (0.55) LTA4HNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5402604 0.74 LMNA (0.47) KDM4EALDH1A1KMT2AHCAR2
SCHEMBL29447351 0.73 LTA4H (0.87) LTA4HHTTKDM4ENPC1RAB9A

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
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C LTA4H 1813/4885HTT 994/4885KDM4E 3946/4885

“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.