SCHEMBL5402604

SCHEMBL5402604

NC(=CC(=O)OCc1ccccc1)COCCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TBXAS1 P24557 7/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PTAFR P25105 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
NAMPT P43490 1/20 0.39
RECQL P46063 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
SCHEMBL5410599 0.78 LMNA (0.50) LMNAKMT2ATDP1CHRNA7ALDH1A1
SCHEMBL28134030 0.76 TBXAS1 (0.58) LMNAKMT2ATDP1CHRNA7KDM4E
SCHEMBL29883579 0.74 CYP19A1 (0.47) LMNAKMT2ATDP1ALDH1A1TBXAS1
SCHEMBL5405873 0.74 LTA4H (0.51) KMT2AKDM4EALDH1A1HCAR2
SCHEMBL5405877 0.74 LTA4H (0.51) KMT2AKDM4EALDH1A1HCAR2
SCHEMBL304802 0.73 TDP1 (0.60) LMNAKMT2ATDP1CHRNA7KDM4E
SCHEMBL5414119 0.73 LTA4H (0.50) KMT2AKDM4EALDH1A1
SCHEMBL5414125 0.73 LTA4H (0.50) KMT2AKDM4EALDH1A1
SCHEMBL4076761 0.72 KMT2A (0.58) LMNAKMT2ATDP1CHRNA7KDM4E
SCHEMBL26698327 0.72 CHRNA7 (0.53) LMNACHRNA7TBXAS1NAPRTRECQL

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 LMNA 1847/4885KMT2A 4223/4885TDP1 2860/4885

“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.