SCHEMBL3375896

SCHEMBL3375896

CC(C)(C)OC(=O)CC(O)CC(O)CCl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL16320670 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16320897 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260626 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31165203 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6156168 0.90 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8437306 0.90 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1172339 0.83 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1172340 0.83 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6154559 0.82 CYP2D6 (0.50) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6872772 0.81 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114410599-B Carbonyl reductase mutant and application thereof in preparation of rosuvastatin chiral intermediate 浙江工业大学 2023-08-18 CN claimed
CN-114875081-A Green industrial production method of rosuvastatin key intermediate 湖北迅达药业股份有限公司 2022-08-09 CN claimed
CN-114410599-A Carbonyl reductase mutant and application thereof in preparing rosuvastatin chiral intermediate 浙江工业大学 2022-04-29 CN claimed
CN-107653238-B Carbonyl reductase gene engineering bacterium immobilized cell and application thereof 浙江工业大学 2021-05-11 CN claimed
CN-108486075-B Recombinant carbonyl reductase mutant, gene, engineering bacterium and application thereof 浙江工业大学 2020-11-13 CN claimed
CN-108048438-B Halohydrin dehalogenase mutant and application thereof 浙江宏元药业股份有限公司 2020-08-18 CN claimed
EP-3134519-B1 KETOREDUCTASES C LECTA GMBH (DE) 2018-06-06 EP claimed
CN-117089533-A Recombinant carbonyl reductase, mutant, coding gene and application thereof 浙江工业大学 2023-11-21 CN disclosed
CN-114410599-B Carbonyl reductase mutant and application thereof in preparation of rosuvastatin chiral intermediate 浙江工业大学 2023-08-18 CN disclosed
CN-114875081-A Green industrial production method of rosuvastatin key intermediate 湖北迅达药业股份有限公司 2022-08-09 CN disclosed
CN-114874181-A Preparation method of rosuvastatin chiral side chain intermediate 湖北迅达药业股份有限公司 2022-08-09 CN disclosed
CN-114410599-A Carbonyl reductase mutant and application thereof in preparing rosuvastatin chiral intermediate 浙江工业大学 2022-04-29 CN disclosed
CN-114181188-A Non-solvation synthesis method of atorvastatin calcium intermediate 江苏阿尔法药业股份有限公司 2022-03-15 CN disclosed
EP-1619191-A2 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-01-25 EP disclosed
US-6903225-B2 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivatives KANEKA CORPORATION (JP) 2005-06-07 US disclosed
EP-1024139-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2-(6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL) ACETIC ACID DERIVATIVES KANEKA CORP (JP) 2004-05-12 EP disclosed
EP-1394157-A2 Process for the preparation of 3,5-dihydroxy substituted esters as intermediates for producing optically active 2-(6-(hydroxymethyl)-1,3-dioxan-4-yl) acetic acid dervatives KANEKA CORPORATION (JP) 2004-03-03 EP disclosed
US-20030040634-A1 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4yl]acetic acid derivatives KANEKA CORPORATION (JP) 2003-02-27 US disclosed
US-6472544-B1 REACTING ACETIC ACID DERIVATIVE WITH AN ENOLATE, REDUCING WITH A MICROORGANISM, ACETALIZING IN PRESENCE OF ACID CATALYST THEN ALKALINE SAPONIFICATION; NO SPECIAL EQUIPMENT OR SUPER LOW TEMPERATURE REQUIRED; INEXPENSIVE STARTING MATERIALS KANEKA CORPORATION (JP) 2002-10-29 US disclosed
EP-1024139-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2- 6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2000-08-02 EP 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-20030040634-A1 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4yl]acetic acid derivatives HAAO, APEH, AADAC CYP2D6 98/4885HDAC3 529/4885HDAC1 1534/4885

“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.