SCHEMBL5413344

SCHEMBL5413344

CCCCCCOCC(=O)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.45
FAAH O00519 1/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NAAA Q02083 2/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL5421203 0.86 MTNR1A (0.36) SMN1; SMN2ALDH1A1
SCHEMBL5403079 0.83 SMN1; SMN2 (0.45) NPC1SMN1; SMN2LMNAALDH1A1NAAA
SCHEMBL5407625 0.82 MTNR1A (0.37) SMN1; SMN2LMNAALDH1A1
SCHEMBL5401685 0.82 PLA2G4B (0.40) PLA2G4BALDH1A1
SCHEMBL7528911 0.80 TSHR (0.48) TSHRALDH1A1
SCHEMBL7527233 0.80 MTNR1A (0.45) LMNA
SCHEMBL7533696 0.80 SMN1; SMN2 (0.47) NPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL4488881 0.79 KLK7 (0.43)
SCHEMBL5414184 0.78 NPC1 (0.42) PLA2G4BNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5414173 0.78 NPC1 (0.42) PLA2G4BNPC1RAB9ASMN1; SMN2LMNA

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 851/4885NPC1 429/4885RAB9A 940/4885

“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.