SCHEMBL6858748

SCHEMBL6858748

CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OCC(C)C)[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
P2RX4 Q99571 1/20 0.38
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34

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
SCHEMBL6858760 1.00 ELANE (0.44) ELANECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6858755 1.00 ELANE (0.44) ELANECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5743187 0.89 ELANE (0.49) ELANEALDH1A1TSHRHPGDNPSR1
SCHEMBL5743179 0.89 ELANE (0.49) ELANEALDH1A1TSHRHPGDNPSR1
SCHEMBL5743190 0.89 ELANE (0.49) ELANEALDH1A1TSHRHPGDNPSR1
SCHEMBL6858777 0.86 ELANE (0.46) ELANECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6858774 0.86 ELANE (0.46) ELANECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6858769 0.86 ELANE (0.46) ELANECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9037300 0.84 ELANE (0.52) ELANEALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL9037293 0.84 ELANE (0.52) ELANEALDH1A1NPSR1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-6018073-A Tricyclic taxanes having an alkoxy, alkenoxy or aryloxy substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY (US) 2000-01-25 US disclosed
US-5739362-A ANTILEUKEMIA, ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-04-14 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-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A ELANE 671/4885CACNA1F 4530/4885CACNA1D 4652/4885

“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.