SCHEMBL5402698

SCHEMBL5402698

O=C(COCCc1cccnc1)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
CHRNA7 P36544 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TBXAS1 P24557 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL5406752 0.88 CYP19A1 (0.42) EPHX2LMNASMN1; SMN2ANPEPERAP2
SCHEMBL5410599 0.85 LMNA (0.50) CHRNA7LMNACYP2C9CYP2C19TBXAS1
SCHEMBL10467455 0.82 TSHR (0.47) CHRNA7LMNAHPGDSMN1; SMN2CYP2C9
SCHEMBL7533696 0.80 SMN1; SMN2 (0.47) LMNAHTTSMN1; SMN2L3MBTL1CYP3A4
SCHEMBL7526215 0.80 EPHX2 (0.40) EPHX2LMNASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5410119 0.79 EPHX2 (0.48) EPHX2CHRNA7LMNAHPGDHTT
SCHEMBL5403079 0.78 SMN1; SMN2 (0.45) EPHX2LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL5401685 0.78 PLA2G4B (0.40) EPHX2TBXAS1
SCHEMBL5407625 0.78 MTNR1A (0.37) EPHX2LMNASMN1; SMN2
SCHEMBL5421203 0.77 MTNR1A (0.36) EPHX2SMN1; SMN2

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 EPHX2 3229/4885CHRNA7 212/4885LMNA 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.