SCHEMBL4582390

SCHEMBL4582390

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PGD P52209 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18206138 1.00 SMN1; SMN2 (0.46) SMN1; SMN2PGDSLC22A6CYP2D6MAPT
SCHEMBL18206789 0.85 SMN1; SMN2 (0.38) SMN1; SMN2PGDSLC22A6CYP2D6
SCHEMBL18206790 0.85 SMN1; SMN2 (0.38) SMN1; SMN2PGDSLC22A6CYP2D6
SCHEMBL3182068 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PGDSLC22A6CYP2D6MAPT
SCHEMBL4582388 0.83 CYP2D6 (0.46) CYP2D6KMT2AMEN1GAAHDAC3
SCHEMBL18219050 0.83 ALDH1A1 (0.37) PGDCYP2D6KMT2AMEN1GAA
SCHEMBL18219018 0.83 ALDH1A1 (0.37) PGDCYP2D6KMT2AMEN1GAA
SCHEMBL18206451 0.83 CYP2D6 (0.46) CYP2D6KMT2AMEN1GAAHDAC3
SCHEMBL18206852 0.83 CYP2D6 (0.46) CYP2D6KMT2AMEN1GAAHDAC3
SCHEMBL27988322 0.82 SMN1; SMN2 (0.41) SMN1; SMN2PGDSLC22A6MAPTGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116399973-B Method for measuring contents of various effective components in Zhikang capsules by HPLC (high Performance liquid chromatography) 西安千禾药业股份有限公司 2025-05-27 CN claimed
CN-119925262-A B-CGT hydrogel and preparation method and application thereof 贵州中医药大学 2025-05-06 CN claimed
CN-119827690-A Bletilla striata pharmacokinetics analysis and research method 贵州护理职业技术学院 2025-04-15 CN claimed
CN-119510623-A Method for constructing characteristic spectrum of Zhikang capsule of Chinese patent medicine, characteristic spectrum and application 西安千禾药业股份有限公司 2025-02-25 CN claimed
CN-118518783-A Quality control method of Panlong seven-piece tablet 陕西盘龙药业集团股份有限公司 2024-08-20 CN claimed
CN-118130693-A Edible tulip identification method and application of characteristic components thereof 广州市药品检验所 2024-06-04 CN claimed
CN-118006643-A Bletilla striata 2-isobutyl malate synthase BsIBMS gene and application thereof 云南农业大学 2024-05-10 CN claimed
CN-116712444-A Active ingredient group for treating UC and key target combination thereof 中药创新研发中心有限公司 2023-09-08 CN claimed
CN-116399973-A Method for measuring contents of various effective components in Zhikang capsules by HPLC (high Performance liquid chromatography) 西安千禾药业股份有限公司 2023-07-07 CN claimed
CN-120254129-B Method for measuring content of 5 components in white jade ointment based on one-measurement-multiple-evaluation method 贵州绿太阳制药有限公司 2026-02-03 CN disclosed
CN-119510623-B Method for constructing characteristic spectrum of Zhikang capsule of Chinese patent medicine, characteristic spectrum and application 西安千禾药业股份有限公司 2025-12-02 CN disclosed
CN-120254129-A Method for measuring content of 5 components in white jade ointment based on one-measurement-multiple-evaluation method 贵州绿太阳制药有限公司 2025-07-04 CN disclosed
CN-116399973-B Method for measuring contents of various effective components in Zhikang capsules by HPLC (high Performance liquid chromatography) 西安千禾药业股份有限公司 2025-05-27 CN disclosed
CN-116399973-B Method for measuring contents of various effective components in Zhikang capsules by HPLC (high Performance liquid chromatography) 西安千禾药业股份有限公司 2025-05-27 CN disclosed
US-6221334-B1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO RESEARCH USA, INC. 2001-04-24 US disclosed
EP-1077729-A2 METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2001-02-28 EP disclosed
CN-1280393-A Solar cell module CANON KK (JP) 2001-01-17 CN disclosed
US-6093382-A A FOLATE-RECEPTOR BINDING LIGAND COMPRSING ONE OR MORE FOLATE BINDING GROUPS, ATLEAST ONE OF WHICH IS CONJUGATED THROUGH ALPHA CARBOXYLATE VIA A LINKING GROUP TO MACROCYCLIC OR NON MACROCYCLIC METAL CHELATING LIGAND RADICAL BRACCO RESEARCH USA INC. (US) 2000-07-25 US disclosed
WO-1999059640-A2 METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 1999-11-25 WO disclosed
US-4005189-A Process of suppressing odors employing deodorants containing esters of aliphatic hydroxycarboxylic acids HENKEL & CIE G.M.B.H. (DT) 1977-01-25 US disclosed