Docetaxel Anhydrous

Docetaxel Anhydrous

SCHEMBL1659767

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)[C@H]21)C3(C)C.Cl

nearest known ligand 0.99

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 0.99
TUBB known ✓ P07437 4/20 0.99
TUBA3C known ✓ P0DPH7 4/20 0.99
TUBA1B known ✓ P68363 4/20 0.99
TUBA4A known ✓ P68366 4/20 0.99
TUBB4B known ✓ P68371 4/20 0.99
TUBB3 known ✓ Q13509 4/20 0.99
TUBB2A known ✓ Q13885 4/20 0.99
TUBB8 known ✓ Q3ZCM7 4/20 0.99
TUBA3E known ✓ Q6PEY2 4/20 0.99
TUBA1A known ✓ Q71U36 4/20 0.99
TUBA1C known ✓ Q9BQE3 4/20 0.99
TUBB6 known ✓ Q9BUF5 4/20 0.99
TUBB2B known ✓ Q9BVA1 4/20 0.99
TUBB1 known ✓ Q9H4B7 4/20 0.99
NPC1 O15118 8/20 0.99
ABCB11 O95342 2/20 0.99
NOD2 Q9HC29 2/20 0.99
MEN1 O00255 2/20 0.99
KMT2A Q03164 2/20 0.99

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 SCHEMBL1659765 1.00 NPC1 (0.99) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL7109515 0.99 TUBB4A (0.99) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL7109517 0.99 TUBB4A (0.99) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL13524298 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25446250 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25052982 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22503340 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL21465719 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22667521 0.99 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL12127070 0.99 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001302-A One class water-soluble taxane analog derivative and application thereof 江苏恩华络康药物研发有限公司 2017-08-01 CN claimed
CN-117580847-A Macrolide compounds 范德比尔特大学 2024-02-20 CN disclosed
CN-107056767-B Process and intermediates for the preparation of water-soluble taxane derivatives 江苏恩华络康药物研发有限公司 2022-07-15 CN disclosed
CN-108653221-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-09-07 CN disclosed
CN-108721242-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2021-03-02 CN disclosed
EP-3464597-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF Caris Science, Inc. (US) 2019-04-10 EP disclosed
EP-3430137-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF Caris Science, Inc. (US) 2019-01-23 EP disclosed
CN-106029631-B Carboxylic acid derivatives and application thereof in preparing prodrugs 李勤耕 2018-12-28 CN disclosed
CN-107922329-A It is used to prepare the method and intermediate of water-soluble taxane analog derivative 江苏恩华络康药物研发有限公司 2018-04-17 CN disclosed
WO-2017205686-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF CARIS SCIENCE, INC. (US) 2017-11-30 WO disclosed
WO-2017161357-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF CARIS SCIENCE, INC. (US) 2017-09-21 WO disclosed
CN-107056767-A Method and intermediate for preparing water-soluble taxane analog derivative 江苏恩华络康药物研发有限公司 2017-08-18 CN disclosed
CN-107001302-A One class water-soluble taxane analog derivative and application thereof 江苏恩华络康药物研发有限公司 2017-08-01 CN disclosed
CN-106029631-A Carboxylic acid derivatives and application thereof in preparing prodrugs 李勤耕 2016-10-12 CN disclosed
US-8541465-B2 Docetaxel formulations with lipoic acid and/or dihydrolipoic acid SCIDOSE, LLC (US) 2013-09-24 US disclosed
US-20110092580-A1 Docetaxel formulations with lipoic acid and/or dihydrolipoic acid SCIDOSE LLC (US) 2011-04-21 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 (1 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-20110092580-A1 Docetaxel formulations with lipoic acid and/or dihydrolipoic acid DLST, TTPA, LIPA TUBB4A 1521/4885TUBB 807/4885TUBA3C 1735/4885

“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.