SCHEMBL5402583

SCHEMBL5402583

N/C(=C\C(=O)OCc1ccccc1)COCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EGFR P00533 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
POLB P06746 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
ATM Q13315 1/20 0.43
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 0.90 LTA4H (0.51) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL5405877 0.90 LTA4H (0.51) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL5414119 0.89 LTA4H (0.50) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL5414125 0.89 LTA4H (0.50) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL5415176 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL5401773 0.79 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL21886975 0.75 LTA4H (0.65) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL20347267 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL1873403 0.72 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AEGFRPOLB
SCHEMBL20350638 0.72 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPSR1EGFR

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 ALDH1A1 2039/4885MEN1 1837/4885KMT2A 4223/4885

“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.