SCHEMBL2546744

SCHEMBL2546744

CC(C)(C)OC(CCC(CC(OC(C)(C)C)OC(C)(C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.36
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
MAPK1 P28482 1/20 0.32
KIF11 P52732 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL2552163 0.90 KCNN4 (0.33) KCNN4
SCHEMBL2552945 0.69 KCNN4 (0.35) KCNN4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL7486375 0.68 KCNN4 (0.44) KCNN4CHRM3CACNA1CMAPK1KIF11
SCHEMBL2556469 0.68 KCNN4 (0.40) KCNN4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL7479981 0.65 KCNN4 (0.43) KCNN4MAPK1KIF11ALDH1A1
SCHEMBL31232385 0.65
SCHEMBL7317772 0.65 TRPA1 (0.41) KCNN4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL7312975 0.65 TRPA1 (0.41) KCNN4CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL8214268 0.65 CHRM3 (0.40) KCNN4CHRM3KCNH2KIF11ALDH1A1
SCHEMBL3302423 0.64 KCNN4 (0.47) KCNN4ADRA1AKIF11CNR1ALDH1A1

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-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2011-10-27 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-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER COL1A1, HDGF, HCCS KCNN4 4850/4885CACNA1F 4848/4885CHRM2 3681/4885

“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.