SCHEMBL6858738

SCHEMBL6858738

CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)C)[C@H]1c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.42
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
APEX1 P27695 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL6858746 1.00 ADORA2B (0.42) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL6858742 1.00 ADORA2B (0.42) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL6861590 0.88 ADORA2B (0.48) ADORA2BPOLBL3MBTL1KDM4EALDH1A1
SCHEMBL6861594 0.88 ADORA2B (0.48) ADORA2BPOLBL3MBTL1KDM4EALDH1A1
SCHEMBL6861588 0.88 ADORA2B (0.48) ADORA2BPOLBL3MBTL1KDM4EALDH1A1
SCHEMBL6860179 0.87 ADORA2B (0.46) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL6860176 0.87 ADORA2B (0.46) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL6860172 0.87 ADORA2B (0.46) ADORA2BPOLBMEN1KMT2AL3MBTL1
SCHEMBL6860249 0.87 ADORA2B (0.38) ADORA2BPOLBL3MBTL1KDM4EALDH1A1
SCHEMBL6860259 0.87 ADORA2B (0.38) ADORA2BPOLBL3MBTL1KDM4EALDH1A1

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 14 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-6455575-B2 ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
EP-0639577-B1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL MYERS SQUIBB CO (US) 2002-05-15 EP disclosed
EP-0590267-B1 Deoxy taxols BRISTOL MYERS SQUIBB CO (US) 2002-05-08 EP disclosed
EP-0694539-B1 7-O-Ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2001-11-28 EP disclosed
US-20010023255-A1 PHOSPHONOOXYMETHYL ETHERS OF TAXANE DERIVATIVES GOLIK JERZY (US) 2001-09-20 US disclosed
US-6201140-B1 ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY 2001-03-13 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
US-5646176-A Phosphonooxymethyl ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-08 US disclosed
EP-0694539-A1 7-o-Ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-01-31 EP disclosed
US-5478854-A Antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
EP-0639577-A1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-02-22 EP 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 (2 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 4197/4885POLB 928/4885MEN1 2533/4885
US-20010023255-A1 PHOSPHONOOXYMETHYL ETHERS OF TAXANE DERIVATIVES PHOSPHO1, MTMR1, PIK3CA ADORA2B 3021/4885POLB 1035/4885MEN1 2172/4885

“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.