Docetaxel Anhydrous

Docetaxel Anhydrous

SCHEMBL903452

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Docetaxel Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 4/20 1.00
TUBB known ✓ P07437 4/20 1.00
TUBA3C known ✓ P0DPH7 4/20 1.00
TUBA1B known ✓ P68363 4/20 1.00
TUBA4A known ✓ P68366 4/20 1.00
TUBB4B known ✓ P68371 4/20 1.00
TUBB3 known ✓ Q13509 4/20 1.00
TUBB2A known ✓ Q13885 4/20 1.00
TUBB8 known ✓ Q3ZCM7 4/20 1.00
TUBA3E known ✓ Q6PEY2 4/20 1.00
TUBA1A known ✓ Q71U36 4/20 1.00
TUBA1C known ✓ Q9BQE3 4/20 1.00
TUBB6 known ✓ Q9BUF5 4/20 1.00
TUBB2B known ✓ Q9BVA1 4/20 1.00
TUBB1 known ✓ Q9H4B7 4/20 1.00
NPC1 O15118 8/20 1.00
ABCB11 O95342 2/20 1.00
NOD2 Q9HC29 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00

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
Docetaxel Anhydrous SCHEMBL19236131 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL13524298 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL177909 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22503340 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25052982 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL12127070 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25446250 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL21465719 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL23134940 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22667521 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144838-A1 THERANOSTIC SYSTEM FOR DIRECTED DIFFUSION OF THERAPEUTIC AND IMAGING AGENTS TO CANCER CELLS UNIVERSITAT POLITÈCNICA DE VALÈNCIA (ES) 2023-05-11 US disclosed
WO-2023053054-A1 PROCESS FOR THE PREPARATION OF TAXANE DERIVATIVES INDENA S.P.A. (IT) 2023-04-06 WO disclosed
EP-2288340-B1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE LLC (US) 2020-06-24 EP disclosed
EP-2416650-B1 NANOPARTICLE FORMULATIONS AND USES THEROF ABRAXIS BIOSCIENCE LLC (US) 2020-02-26 EP disclosed
US-10406239-B2 Water-soluble docetaxel anticancer drug compound and preparation method and use thereof NANJING YOUYI MEDICAL TECHNOLOGY CO., LTD (CN) 2019-09-10 US disclosed
US-9944752-B2 Block copolymers for stable micelles INTEZYNE TECHNOLOGIES, INC. (US) 2018-04-17 US disclosed
US-9889206-B2 C-Met targeting compound-bioactive material conjugate and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-13 US disclosed
US-20170253699-A1 BLOCK COPOLYMERS FOR STABLE MICELLES INTEZYNE TECHNOLOGIES, INC. 2017-09-07 US disclosed
US-20170172975-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2017-06-22 US disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 US disclosed
US-7615653-B2 Anti-tuberculosis taxane compounds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-11-10 US disclosed
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2009-10-22 US disclosed
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2009-10-22 US disclosed
WO-2009126938-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCES, LLC (US) 2009-10-15 WO disclosed
WO-2009126175-A1 COMPOSITIONS OF HYDROPHOBIC TAXANE DERIVATIVES AND USES THEREOF ABRAXIS BIOSCIENCE, LLC (US) 2009-10-15 WO disclosed
US-7550608-B2 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-23 US disclosed
US-20090137796-A1 METHODS FOR THE PREPARATION OF TAXANES USING CHIRAL AUXILIARIES BIOXEL PHARMA INC. (CA) 2009-05-28 US disclosed
US-20090062376-A1 Preparation of Taxanes From 9-Dihydro-13-Acetylbaccatin III BIOXEL PHARMA INC. (CA) 2009-03-05 US disclosed
US-20080081836-A1 Anti-Tuberculosis Taxane Compounds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-04-03 US disclosed
US-20080081836-A1 Anti-Tuberculosis Taxane Compounds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-04-03 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 (9 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-20090062376-A1 Preparation of Taxanes From 9-Dihydro-13-Acetylbaccatin III H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SIRT3, PARP9 TUBB4A 116/4885TUBB 75/4885TUBA3C 25/4885
US-20080081836-A1 Anti-Tuberculosis Taxane Compounds TUBB, TOP2A, TUBB1 TUBB4A 12/4885TUBB 1/4885TUBA3C 38/4885
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABCB1, SLC47A1, ABCC1 TUBB4A 612/4885TUBB 548/4885TUBA3C 312/4885
US-20170172975-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABCB1, SLC47A1, ABCC1 TUBB4A 612/4885TUBB 548/4885TUBA3C 312/4885
US-20230144838-A1 THERANOSTIC SYSTEM FOR DIRECTED DIFFUSION OF THERAPEUTIC AND IMAGING AGENTS TO CANCER CELLS FOLR1, EGFR, FOLR2 TUBB4A 959/4885TUBB 878/4885TUBA3C 1592/4885
US-20090137796-A1 METHODS FOR THE PREPARATION OF TAXANES USING CHIRAL AUXILIARIES TOP2B, TOP1, TOP2A TUBB4A 21/4885TUBB 6/4885TUBA3C 30/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 TUBB4A 828/4885TUBB 501/4885TUBA3C 152/4885
US-10406239-B2 Water-soluble docetaxel anticancer drug compound and preparation method and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DHCR7, CCR7 TUBB4A 119/4885TUBB 68/4885TUBA3C 8/4885
US-20170253699-A1 BLOCK COPOLYMERS FOR STABLE MICELLES ABCB4, CLTB, EPHA2 TUBB4A 88/4885TUBB 47/4885TUBA3C 202/4885

“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.