SCHEMBL7047706

SCHEMBL7047706

CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCC)C1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.66
CACNA1D Q01668 7/20 0.66
CACNA1S Q13698 7/20 0.66
CACNA1C Q13936 7/20 0.66
ADORA3 P0DMS8 1/20 0.66
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CACNA1B Q00975 1/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL10830248 1.00 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3027412 0.84 ADORA3 (0.89) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10901491 0.84 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7044551 0.84 ALDH1A1 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7048693 0.84 ALDH1A1 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7048080 0.84 ALDH1A1 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7044561 0.84 ALDH1A1 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10830230 0.83 ADORA3 (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10830852 0.83 ADORA3 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10829909 0.83 ADORA3 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 CACNA1F 1704/4885CACNA1D 1123/4885CACNA1S 1011/4885

“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.