SCHEMBL1764918

SCHEMBL1764918

COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

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 7/20 1.00
TUBB P07437 7/20 1.00
TUBA3C P0DPH7 7/20 1.00
TUBA1B P68363 7/20 1.00
TUBA4A P68366 7/20 1.00
TUBB4B P68371 7/20 1.00
TUBB3 Q13509 7/20 1.00
TUBB2A Q13885 7/20 1.00
TUBB8 Q3ZCM7 7/20 1.00
TUBA3E Q6PEY2 7/20 1.00
TUBA1A Q71U36 7/20 1.00
TUBA1C Q9BQE3 7/20 1.00
TUBB6 Q9BUF5 7/20 1.00
TUBB2B Q9BVA1 7/20 1.00
PTGS2 P35354 2/20 0.69
CYP19A1 P11511 2/20 0.59
SLC22A2 O15244 1/20 0.57
SLCO2B1 O94956 1/20 0.57
ABCB1 P08183 1/20 0.57

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
SCHEMBL30063036 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4967209 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1764919 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30466670 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29815038 1.00 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7499124 0.90 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7496691 0.90 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23671618 0.90 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23671617 0.90 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29815036 0.90 TUBB1 (0.81) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332802-B Tubulin and NRP1 double-target compound and preparation method and application thereof 中国药科大学 2023-08-22 CN disclosed
CN-116332802-A Tubulin and NRP1 double-target compound and preparation method and application thereof 中国药科大学 2023-06-27 CN disclosed
US-11279678-B2 5-fluorouracil derivatives, preparation methods and uses thereof SHANGHAI ECUST BIOMEDICINE CO., LTD. (CN) 2022-03-22 US disclosed
US-20210230122-A1 5-FLUOROURACIL DERIVATIVES, PREPARATION METHODS AND USES THEREOF SHANGHAI ECUST BIOMEDICINE CO., LTD. (CN) 2021-07-29 US disclosed
EP-2562154-A1 Method for preparing combretastatin SANOFI (FR) 2013-02-27 EP disclosed
EP-2562154-A1 Method for preparing combretastatin SANOFI (FR) 2013-02-27 EP disclosed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP disclosed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP disclosed
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
EP-2252572-A1 METHOD FOR PREPARING COMBRETASTATIN Sanofi-Aventis (FR) 2010-11-24 EP disclosed
WO-2009118474-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 US disclosed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 US 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
EP-0984954-A4 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION UNIV BAYLOR (US) 2002-01-16 EP 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
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP 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 (5 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-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization TUBB, TUBB1, TUBB3 TUBB1 2/4885TUBB4A 4/4885TUBB 1/4885
US-20030220404-A1 Process for the preparation of combretastatins TGFB2, HMGCR, TGFB1 TUBB1 577/4885TUBB4A 1286/4885TUBB 709/4885
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN PCSK9, PCSK7, HMGCR TUBB1 1796/4885TUBB4A 1410/4885TUBB 1639/4885
US-11279678-B2 5-fluorouracil derivatives, preparation methods and uses thereof VEGFA, FLT4, FAU TUBB1 310/4885TUBB4A 208/4885TUBB 242/4885
US-20210230122-A1 5-FLUOROURACIL DERIVATIVES, PREPARATION METHODS AND USES THEREOF VEGFA, FLT4, FAU TUBB1 310/4885TUBB4A 208/4885TUBB 242/4885

“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.