SCHEMBL5406752

SCHEMBL5406752

O=C(COCCc1ccncc1)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5402698 0.88 EPHX2 (0.48) EPHX2LMNAANPEPERAP2ERAP1
SCHEMBL7526215 0.83 EPHX2 (0.40) EPHX2LMNAKDM4ESMN1; SMN2
SCHEMBL7533696 0.81 SMN1; SMN2 (0.47) LMNATDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5401685 0.80 PLA2G4B (0.40) EPHX2TDP1ALDH1A1MAPT
SCHEMBL5407625 0.80 MTNR1A (0.37) EPHX2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5421203 0.79 MTNR1A (0.36) EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5403079 0.79 SMN1; SMN2 (0.45) EPHX2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5406745 0.77 EPHX2 (0.41) CYP19A1EPHX2LMNALTA4HANPEP
SCHEMBL5413344 0.76 PLA2G4B (0.47) LMNAALDH1A1SMN1; SMN2
SCHEMBL7528911 0.76 TSHR (0.48) ALDH1A1MAPT

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 CYP19A1 3954/4885EPHX2 3229/4885LMNA 1847/4885

“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.