Docetaxel Anhydrous

Docetaxel Anhydrous

SCHEMBL7109515

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(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.O.O.O

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
CYP3A4 P08684 2/20 0.99
TACR2 P21452 2/20 0.99
EGFR P00533 1/20 0.99
GHRHR Q02643 1/20 0.99
NPC1 O15118 8/20 0.98

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 SCHEMBL7109517 1.00 TUBB4A (0.99) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL121908 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL189599 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL14060916 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL301510 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL189598 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL121909 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL1659765 0.99 NPC1 (0.99) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL1659767 0.99 NPC1 (0.99) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Docetaxel Anhydrous SCHEMBL301509 0.99 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283285-B2 Stable nanocomposition comprising docetaxel, process for the preparation thereof, its use and pharmaceutical compositions containing it BBS NANOTECHNOLOGY LTD. (HU) 2016-03-15 US claimed
EP-2978421-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS Nanotechnology Ltd. (HU) 2016-02-03 EP claimed
US-20140294966-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC. (HU) 2014-10-02 US claimed
WO-2014155144-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC (HU) 2014-10-02 WO claimed
EP-1273296-B1 COMBINATION OF ACETYLDINALINE AND DOCETAXEL WARNER LAMBERT CO (US) 2003-11-26 EP claimed
US-20030083366-A1 Combination chemotherapy GROVE WILLIAM RICHARD (US) 2003-05-01 US claimed
EP-1273296-A2 Combination chemotherapy WARNER-LAMBERT COMPANY (US) 2003-01-08 EP claimed
US-9283285-B2 Stable nanocomposition comprising docetaxel, process for the preparation thereof, its use and pharmaceutical compositions containing it BBS NANOTECHNOLOGY LTD. (HU) 2016-03-15 US disclosed
US-9283285-B2 Stable nanocomposition comprising docetaxel, process for the preparation thereof, its use and pharmaceutical compositions containing it BBS NANOTECHNOLOGY LTD. (HU) 2016-03-15 US disclosed
EP-2978421-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS Nanotechnology Ltd. (HU) 2016-02-03 EP disclosed
EP-2978421-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS Nanotechnology Ltd. (HU) 2016-02-03 EP disclosed
WO-2014155144-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC (HU) 2014-10-02 WO disclosed
WO-2014155144-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC (HU) 2014-10-02 WO disclosed
US-20140294966-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC. (HU) 2014-10-02 US disclosed
US-20140294966-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BBS NANOTECHNOLOGY LLC. (HU) 2014-10-02 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-20140294966-A1 STABLE NANOCOMPOSITION COMPRISING DOCETAXEL, PROCESS FOR THE PREPARATION THEREOF, ITS USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, CD63 TUBB4A 216/4885TUBB 263/4885TUBA3C 68/4885

“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.