Docetaxel Anhydrous

Docetaxel Anhydrous

SCHEMBL12127059

CC(=O)O[C@@]12COC1C[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)[C@@H]12)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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 US disclosed
EP-3184540-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF Yafei Shanghai Biolog Medicine Science& Technology (CN) 2017-06-28 EP disclosed
US-9434610-B2 HPMA—docetaxel conjugates and uses therefore REXAHN PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-9434610-B2 HPMA—docetaxel conjugates and uses therefore REXAHN PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
WO-2016026458-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF 亚飞(上海)生物医药科技有限公司 2016-02-25 WO disclosed
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS INC (US) 2015-03-12 US disclosed
US-8846110-B2 Polymeric systems for the delivery of anticancer drugs REXAHN PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8362240-B2 Taxol derivatives with antitumor activity SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-01-29 US disclosed
US-8362240-B2 Taxol derivatives with antitumor activity SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-01-29 US disclosed
US-20110275841-A1 PREPARATION OF DOCETAXEL DR. REDDY'S LABORATORIES, INC. (US) 2011-11-10 US disclosed
US-20110275841-A1 PREPARATION OF DOCETAXEL DR. REDDY'S LABORATORIES, INC. (US) 2011-11-10 US disclosed
US-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-14 US disclosed
US-20100197944-A1 DOCETAXEL PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LIMITED (IN) 2010-08-05 US disclosed
US-20100197944-A1 DOCETAXEL PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LIMITED (IN) 2010-08-05 US disclosed
US-20100168420-A1 Taxol Derivatives With Antitumor Activity SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2010-07-01 US disclosed
US-20100168420-A1 Taxol Derivatives With Antitumor Activity SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2010-07-01 US disclosed
US-20100099644-A1 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE REXAHN PHARMACEUTICALS, INC. 2010-04-22 US disclosed
US-20090221688-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DOCETAXEL AND A DEGRADATION INHIBITOR AND A PROCESS FOR OBTAINING THE SAME QUIRAL QUIMICA DO BRASIL S.A. (BR) 2009-09-03 US disclosed
WO-2009006590-A9 DOCETAXEL PROCESS AND POLYMORPHS REDDYS LAB LTD DR (IN) 2009-05-07 WO disclosed
WO-2009006590-A2 DOCETAXEL PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2009-01-08 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 (8 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-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 TUBB4A 611/4885TUBB 680/4885TUBA3C 345/4885
US-20110275841-A1 PREPARATION OF DOCETAXEL XPO5, DHPS, PDS5A TUBB4A 533/4885TUBB 677/4885TUBA3C 376/4885
US-20100099644-A1 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE HPGDS, HDGF, DPYD TUBB4A 137/4885TUBB 99/4885TUBA3C 96/4885
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 TUBB4A 2573/4885TUBB 2770/4885TUBA3C 3375/4885
US-20100168420-A1 Taxol Derivatives With Antitumor Activity TUBA4A, TUBB4A, TUBB1 TUBB4A 2/4885TUBB 10/4885TUBA3C 16/4885
US-20100197944-A1 DOCETAXEL PROCESS AND POLYMORPHS DCTPP1, TTPA, TALDO1 TUBB4A 206/4885TUBB 342/4885TUBA3C 212/4885
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 TUBB4A 611/4885TUBB 680/4885TUBA3C 345/4885
US-20090221688-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DOCETAXEL AND A DEGRADATION INHIBITOR AND A PROCESS FOR OBTAINING THE SAME PLK1, PGK1, DTYMK TUBB4A 555/4885TUBB 177/4885TUBA3C 1143/4885

“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.