SCHEMBL6853408

SCHEMBL6853408

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADORA2B P29275 9/20 0.40
LMNA P02545 3/20 0.39
APEX1 P27695 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
LIPE Q05469 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL6853417 1.00 POLB (0.46) POLBTDP1ALDH1A1HTTKDM4E
SCHEMBL6853426 1.00 POLB (0.46) POLBTDP1ALDH1A1HTTKDM4E
SCHEMBL6861588 0.90 ADORA2B (0.48) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6861594 0.90 ADORA2B (0.48) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6861590 0.90 ADORA2B (0.48) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6861438 0.90 ADORA2B (0.40) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6861442 0.90 ADORA2B (0.40) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6861435 0.90 ADORA2B (0.40) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6853228 0.87 ADORA2B (0.38) POLBTDP1ALDH1A1KDM4EADORA2B
SCHEMBL6853223 0.87 ADORA2B (0.38) POLBTDP1ALDH1A1KDM4EADORA2B

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 POLB 928/4885TDP1 1117/4885ALDH1A1 932/4885

“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.