SCHEMBL5403079

SCHEMBL5403079

O=C(COCCCOCc1ccccc1)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
CASP1 P29466 2/20 0.40
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TEAD3 Q99594 1/20 0.38
MMP3 P08254 2/20 0.38
NPC1 O15118 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
TPO P07202 1/20 0.37
CYP3A4 P08684 1/20 0.37
FOLH1 Q04609 1/20 0.37
EPHX2 P34913 1/20 0.37
AGTR2 P50052 1/20 0.36
MMP1 P03956 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
SCHEMBL7533696 0.95 SMN1; SMN2 (0.47) SMN1; SMN2HTTCASP1ALDH1A1MAPT
SCHEMBL5421203 0.86 MTNR1A (0.36) SMN1; SMN2ALDH1A1MAPTCNR1EPHX2
SCHEMBL5413344 0.83 PLA2G4B (0.47) SMN1; SMN2NAAAALDH1A1NPC1LMNA
SCHEMBL5401685 0.82 PLA2G4B (0.40) ALDH1A1MAPTCNR1EPHX2
SCHEMBL5407625 0.82 MTNR1A (0.37) SMN1; SMN2ALDH1A1MAPTCNR1LMNA
SCHEMBL5415161 0.79 HTT (0.49) SMN1; SMN2HTTNPC1CYP3A4
SCHEMBL4488881 0.79 KLK7 (0.43)
SCHEMBL5406752 0.79 CYP19A1 (0.42) SMN1; SMN2ALDH1A1MAPTLMNAEPHX2
SCHEMBL5402698 0.78 EPHX2 (0.48) SMN1; SMN2HTTLMNACYP3A4EPHX2
SCHEMBL7528911 0.78 TSHR (0.48) ALDH1A1MAPTCNR1

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 SMN1; SMN2 331/4885HTT 994/4885CASP1 2519/4885

“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.