SCHEMBL5189199

SCHEMBL5189199

COc1ccc(C2CC=Cc3ccccc32)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL28261345 0.71 ALDH1A1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9316441 0.71 KDM4E (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24404703 0.69 IDO1 (0.44) ALDH1A1HSD17B10LMNATP53MAPT
SCHEMBL28151299 0.68 KDM1A (0.40) KDM4EALDH1A1HTR2CLMNATP53
SCHEMBL28151296 0.68 KDM1A (0.40) KDM4EALDH1A1HTR2CLMNATP53
SCHEMBL29690123 0.68 MEN1 (0.38)
SCHEMBL3000297 0.68 MEN1 (0.38)
SCHEMBL14767789 0.67 TUBB4A (0.43) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29479374 0.66 RET (0.35) KDM4EHSD17B10HTR2CLMNATP53
SCHEMBL10609155 0.66 RET (0.35) KDM4EHSD17B10HTR2CLMNATP53

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 9 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
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs PINNEY KEVIN G 2006-06-29 US disclosed
US-7001926-B2 Tubulin binding agents and corresponding prodrug constructs OXIGENE, INC. (US) 2006-02-21 US disclosed
WO-2004087061-A2 TUBULIN BINDING AGENTS AND CORRESPONDING PRODRUG CONSTRUCTS OXIGENE, INC. (US) 2004-10-14 WO disclosed
US-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2004-03-04 US 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 (3 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-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB POLB 568/4885TUBB4A 1/4885TUBB 3/4885
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A POLB 578/4885TUBB4A 3/4885TUBB 1/4885
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB POLB 568/4885TUBB4A 1/4885TUBB 3/4885

“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.