SCHEMBL6858809

SCHEMBL6858809

CC[Si](CC)(CC)OC1C(=O)N(C(=O)OCC(C)(C)C)C1c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.40
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
ADORA1 P30542 1/20 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
SCHEMBL6858812 1.00 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6858807 1.00 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6861588 0.90 ADORA2B (0.48) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6861590 0.90 ADORA2B (0.48) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6861594 0.90 ADORA2B (0.48) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6394866 0.87 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL7818288 0.87 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6394870 0.87 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6839247 0.87 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2
SCHEMBL6861438 0.85 ADORA2B (0.40) ADORA2BKDM4EPOLBAPEX1ESR2

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 ADORA2B 4197/4885KDM4E 3419/4885POLB 928/4885

“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.