SCHEMBL6753702

SCHEMBL6753702

COCOc1c(C=O)ccc(OC)c1OCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SRC P12931 1/20 0.43
TUBB1 Q9H4B7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FDPS P14324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ERN1 O75460 3/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL9327164 0.95 ERN1 (0.44) ALDH1A1SRCTUBB1L3MBTL1TSHR
SCHEMBL4520879 0.85 ALDH1A1 (0.40) ALDH1A1SRCTUBB1L3MBTL1TSHR
SCHEMBL3213856 0.85 SRC (0.56) ALDH1A1SRCL3MBTL1TSHRNPC1
SCHEMBL16096242 0.80 TUBB1 (0.35) ALDH1A1SRCTUBB1L3MBTL1TSHR
SCHEMBL31359164 0.80 LMNA (0.36) ALDH1A1SRCTUBB1L3MBTL1FDPS
SCHEMBL8506220 0.79 ERN1 (0.46) ALDH1A1SRCTUBB1L3MBTL1NPC1
SCHEMBL27620236 0.79 TUBB1 (0.46) ALDH1A1SRCTUBB1L3MBTL1ERN1
SCHEMBL31359218 0.79 TUBB1 (0.40) ALDH1A1SRCTUBB1L3MBTL1TSHR
SCHEMBL3599750 0.78 ERN1 (0.37) ALDH1A1SRCTUBB1L3MBTL1TSHR
SCHEMBL22230878 0.78 CA1 (0.41) ALDH1A1SRCTUBB1L3MBTL1TSHR

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
EP-1283672-B1 ANTITUBULIN ASSEMBLY AND CELL GROWTH INHIBITOR DENOMINATED \"DIOXOSTATIN\ UNIV ARIZONA STATE (US) 2004-11-17 EP disclosed
US-20040122083-A1 Antitubulin assembly and cell growth inhibitor denominated \"dioxostatin\ ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2004-06-24 US disclosed
EP-1283672-A1 ANTITUBULIN ASSEMBLY AND CELL GROWTH INHIBITOR DENOMINATED \"DIOXOSTATIN\ Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2003-02-19 EP disclosed
WO-2001084929-A1 ANTITUBULIN ASSEMBLY AND CELL GROWTH INHIBITOR DENOMINATED 'DIOXOSTATIN' ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2001-11-15 WO 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-20040122083-A1 Antitubulin assembly and cell growth inhibitor denominated \"dioxostatin\ MCL1, TUBA1C, TUBB8 ALDH1A1 3797/4885SRC 2361/4885TUBB1 4/4885

“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.