SCHEMBL1899993

SCHEMBL1899993

COc1ccc(-c2sc3cc(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
TUBB1 Q9H4B7 11/20 1.00
TUBB4A P04350 10/20 1.00
TUBB P07437 10/20 1.00
TUBA3C P0DPH7 10/20 1.00
TUBA1B P68363 10/20 1.00
TUBA4A P68366 10/20 1.00
TUBB4B P68371 10/20 1.00
TUBB3 Q13509 10/20 1.00
TUBB2A Q13885 10/20 1.00
TUBB8 Q3ZCM7 10/20 1.00
TUBA3E Q6PEY2 10/20 1.00
TUBA1A Q71U36 10/20 1.00
TUBA1C Q9BQE3 10/20 1.00
TUBB6 Q9BUF5 10/20 1.00
TUBB2B Q9BVA1 10/20 1.00
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55

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
SCHEMBL7786558 0.91 TUBB1 (0.83) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6425076 0.90 TUBB4A (0.82) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6425281 0.90 TUBB4A (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6060505 0.90 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6425079 0.89 TUBB4A (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5027076 0.88 TUBB1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5027097 0.88 TUBB4A (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6426146 0.88 TUBB4A (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5027082 0.87 TUBB4A (0.77) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5026252 0.87 CNR1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US claimed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US claimed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP claimed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US claimed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO claimed
WO-2009105123-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-27 WO claimed
WO-2008103916-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2008-08-28 WO claimed
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
EP-0984954-A4 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION UNIV BAYLOR (US) 2002-01-16 EP claimed
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization BYLOR UNIVERSITY AND ARIZONA DESEASE CONTROL RESEARCH COMMISSION 2001-10-25 US claimed
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP claimed
US-5886025-A METHOXY AND ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES BAYLOR UNIVERSITY (US) 1999-03-23 US claimed
WO-1998039323-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 1998-09-11 WO claimed
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
EP-1214298-B1 INDOLE-CONTAINING AND COMBRETASTATIN-RELATED ANTI-MITOTIC AND ANTI-TUBULIN POLYMERIZATION AGENTS UNIV BAYLOR (US) 2012-05-30 EP disclosed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP disclosed
US-5886025-A METHOXY AND ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES BAYLOR UNIVERSITY (US) 1999-03-23 US disclosed
WO-1998039323-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 1998-09-11 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 (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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 TUBB1 2/4885TUBB4A 20/4885TUBB 7/4885
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization TUBB, TUBB1, TUBB3 TUBB1 2/4885TUBB4A 4/4885TUBB 1/4885
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 TUBB1 3/4885TUBB4A 7/4885TUBB 1/4885
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER BDNF, NGF, NTRK2 TUBB1 7/4885TUBB4A 19/4885TUBB 15/4885

“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.