SCHEMBL5401685

SCHEMBL5401685

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.40
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TBXAS1 P24557 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 2/20 0.36
EPHX2 P34913 1/20 0.36
CNR2 P34972 1/20 0.36
CASR P41180 3/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL5407625 0.86 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1MAPTCNR1
SCHEMBL5421203 0.85 MTNR1A (0.36) MTNR1AMTNR1BALDH1A1MAPTCNR1
SCHEMBL7533696 0.84 SMN1; SMN2 (0.47) ALDH1A1MAPTTDP1CNR1
SCHEMBL5403079 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTCNR1EPHX2
SCHEMBL5413344 0.82 PLA2G4B (0.47) PLA2G4BALDH1A1
SCHEMBL7528911 0.82 TSHR (0.48) MTNR1AMTNR1BALDH1A1MAPTCNR1
SCHEMBL4488881 0.80 KLK7 (0.43) TDP1CASRCHRM2CHRM4CHRM1
SCHEMBL5406752 0.80 CYP19A1 (0.42) ALDH1A1MAPTTDP1EPHX2
SCHEMBL5407213 0.80 HRH3 (0.48) ALDH1A1TDP1
SCHEMBL7526215 0.79 EPHX2 (0.40) EPHX2

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 PLA2G4B 851/4885MTNR1A 1425/4885MTNR1B 1148/4885

“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.