SCHEMBL6426148

SCHEMBL6426148

COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.63
TUBB P07437 7/20 0.63
TUBA3C P0DPH7 7/20 0.63
TUBA1B P68363 7/20 0.63
TUBA4A P68366 7/20 0.63
TUBB4B P68371 7/20 0.63
TUBB3 Q13509 7/20 0.63
TUBB2A Q13885 7/20 0.63
TUBB8 Q3ZCM7 7/20 0.63
TUBA3E Q6PEY2 7/20 0.63
TUBA1A Q71U36 7/20 0.63
TUBA1C Q9BQE3 7/20 0.63
TUBB6 Q9BUF5 7/20 0.63
TUBB2B Q9BVA1 7/20 0.63
TUBB1 Q9H4B7 7/20 0.63
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
CNR1 P21554 1/20 0.54
CASP1 P29466 1/20 0.54

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
SCHEMBL5024772 0.90 CYP3A4 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14427609 0.87 ABCG2 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3755573 0.83 TUBB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2130640 0.83 TUBB1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12854849 0.83 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3752874 0.82 TUBB1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3748414 0.81 TUBB1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7638171 0.81 CNR2 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3743123 0.80 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13380480 0.79 TUBB1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US claimed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed
WO-2007081966-A2 SMALL MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-07-19 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-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TUBB4A 14/4885TUBB 3/4885TUBA3C 11/4885
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 TUBB4A 7/4885TUBB 1/4885TUBA3C 6/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TUBB4A 14/4885TUBB 3/4885TUBA3C 11/4885

“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.