SCHEMBL5024772

SCHEMBL5024772

COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
MAPT P10636 3/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 2/20 0.65
ALOX15 P16050 1/20 0.65
CNR1 P21554 1/20 0.65
CNR2 P34972 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TUBB1 Q9H4B7 9/20 0.64
TUBB4A P04350 7/20 0.64
TUBB P07437 7/20 0.64
TUBA3C P0DPH7 7/20 0.64
TUBA1B P68363 7/20 0.64
TUBA4A P68366 7/20 0.64
TUBB4B P68371 7/20 0.64
TUBB3 Q13509 7/20 0.64
TUBB2A Q13885 7/20 0.64
TUBB8 Q3ZCM7 7/20 0.64
TUBA3E Q6PEY2 7/20 0.64
TUBA1A Q71U36 7/20 0.64

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
SCHEMBL6426148 0.90 TUBB4A (0.63) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL7638171 0.88 CNR2 (0.69) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL3755573 0.88 TUBB1 (0.58) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL6746977 0.87 CNR2 (0.82) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL3752874 0.87 TUBB1 (0.55) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL14427609 0.87 ABCG2 (0.56) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL3748414 0.86 TUBB1 (0.56) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL7637881 0.85 CNR2 (0.60) CYP3A4MAPTCASP1CASP7ALOX15
SCHEMBL2130640 0.85 TUBB1 (0.70) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3578843 0.85 MEN1 (0.53) CYP3A4MAPTCASP1CASP7ALOX15

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 17 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-6350777-B2 METHOXY/ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES; ANTITUMOR AGENTS; CYTOTOXICITY BAYLOR UNIVERSITY 2002-02-26 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
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP 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
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 disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 WO disclosed
US-6350777-B2 METHOXY/ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES; ANTITUMOR AGENTS; CYTOTOXICITY BAYLOR UNIVERSITY 2002-02-26 US disclosed
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization BYLOR UNIVERSITY AND ARIZONA DESEASE CONTROL RESEARCH COMMISSION 2001-10-25 US disclosed
US-6162930-A Anti-mitotic agents which inhibit tubulin polymerization BAYLOR UNIVERSITY (US) 2000-12-19 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 (4 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 CYP3A4 3656/4885MAPT 27/4885CASP1 2508/4885
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization TUBB, TUBB1, TUBB3 CYP3A4 3178/4885MAPT 77/4885CASP1 2284/4885
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 CYP3A4 3477/4885MAPT 28/4885CASP1 4257/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB CYP3A4 3656/4885MAPT 27/4885CASP1 2508/4885

“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.