SCHEMBL5201088

SCHEMBL5201088

COc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=CCC2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14463046 0.83 GAA (0.38) CYP3A4
SCHEMBL7633012 0.78 MPO (0.54)
SCHEMBL6113046 0.75 CCNB2 (0.42) ACHECYP3A4
SCHEMBL6112977 0.75 MIF (0.48) CA9
SCHEMBL6113173 0.74 TUBB4A (0.44)
SCHEMBL14462890 0.74 L3MBTL1 (0.37)
SCHEMBL4133075 0.72 ATM (0.42)
SCHEMBL6112766 0.71 CCNB2 (0.47) ACHECYP3A4
SCHEMBL28209834 0.71 PDE10A (0.47) MAOAACHE
SCHEMBL6113150 0.70 CCNB2 (0.40) ACHECYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263763-B1 TUBULIN BINDING LIGANDS UNIV BAYLOR (US) 2007-07-25 EP disclosed
EP-1263763-B1 TUBULIN BINDING LIGANDS UNIV BAYLOR (US) 2007-07-25 EP disclosed
US-6593374-B2 Such as 3-(3'4'5'-trimethoxybenzoyl)-2-(3'benzylphosphate 4'methoxyphenyl)-6-methoxybenzo(b)thiophene; functionalized to prepare phosphate esters, phosphate salts, and phosphoramidates useful as antitumor agents BAYLOR UNIVERSITY 2003-07-15 US disclosed
EP-1263763-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2002-12-11 EP disclosed
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001068654-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2001-09-20 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-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A MAOA 2990/4885CA2 1918/4885CA9 2298/4885

“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.