SCHEMBL16171990

SCHEMBL16171990

COC(CCC(=O)C(C)C)CC(C)C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
CTSK P43235 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL4053863 0.82 ALDH1A1 (0.36) CA1CTSKCACNA2D1CACNB3CACNA1C
SCHEMBL4059679 0.78 TDP1 (0.33) CA1CTSK
SCHEMBL4054598 0.74 KDM1A (0.37) CA1CTSK
SCHEMBL800723 0.73 CA1 (0.55) CA1
SCHEMBL10152974 0.72 CA1 (0.34) CA1RNPEPSLC7A5
SCHEMBL1658171 0.72 ALDH1A1 (0.33)
SCHEMBL12039727 0.71 ALDH1A1 (0.30)
SCHEMBL2614395 0.69 ALDH1A1 (0.37)
SCHEMBL4059136 0.68 ALDH1A1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18331068 0.68 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A

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-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. 2014-10-16 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-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS NPC1L1, NPC1, CETP CA1 4292/4885CTSK 2161/4885CACNA2D1 4586/4885

“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.