Ligustilide

Ligustilide

SCHEMBL4087027

CCCC=C1OC(=O)C2=C1CCC=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 1.00
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
Ligustilide SCHEMBL4087024 1.00 TRPA1 (1.00) TRPA1ALDH1A1TSHRMAPK1
Ligustilide SCHEMBL28151404 1.00 TRPA1 (1.00) TRPA1ALDH1A1TSHRMAPK1
Ligustilide SCHEMBL11967666 1.00 TRPA1 (1.00) TRPA1ALDH1A1TSHRMAPK1
Ligustilide SCHEMBL27599046 0.90 TRPA1 (0.81) TRPA1
SCHEMBL3762680 0.81 TRPA1 (0.68) TRPA1
SCHEMBL11967655 0.76 TRPA1 (0.61) TRPA1
SCHEMBL28204511 0.73 TRPA1 (0.57) TRPA1
SCHEMBL28216731 0.73 TRPA1 (0.57) TRPA1
SCHEMBL1872402 0.71 TRPA1 (0.54) TRPA1ALDH1A1
SCHEMBL18843936 0.71 TRPA1 (0.55) TRPA1ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240269196-A1 RESPIRATORY TREATMENTS USING SALMONID OIL COMPOSITIONS HOFSETH BIOCARE ASA (NO) 2024-08-15 US claimed
EP-4247165-A1 RESPIRATORY TREATMENTS Hofseth Biocare ASA (NO) 2023-09-27 EP claimed
EP-4132571-A1 RESPIRATORY TREATMENTS USING SALMONID OIL COMPOSITIONS Hofseth Biocare ASA (NO) 2023-02-15 EP claimed
CN-115427067-A Respiratory therapy using salmon oil compositions 霍夫赛思生物保健有限公司 2022-12-02 CN claimed
WO-2022108883-A1 RESPIRATORY TREATMENTS HOFSETH BIOCARE ASA (NO) 2022-05-27 WO claimed
US-20210315941-A1 RESPIRATORY TREATMENTS USING SALMONID OIL COMPOSITIONS HOFSETH BIOCARE ASA (NO) 2021-10-14 US claimed
EP-3165222-B1 USE OF PHTHALIDE COMPOUND EVERFRONT BIOTECH INC (TW) 2020-03-11 EP claimed
CN-109307721-A A kind of HPLC-QQQ/MS method measures the detection method of content of effective component in Dragon groundnut 陕西步长制药有限公司 2019-02-05 CN claimed
CN-105213370-B Application of phthalide compound 长弘生物科技股份有限公司 2018-10-09 CN claimed
EP-2974723-B1 APPLICATION OF PHTHALIDE COMPOUNDS HAWKING BIOLOGICAL TECH CO LTD (TW) 2018-04-11 EP claimed
CN-105213370-A Application of phthalide compound EVERFRONT BIOTECH INC 2016-01-06 CN claimed
CN-105067750-A Method used for determining lactone ingredients content in naofentai soft capsules SHNAGHAI HAIHONG INDUSTRY GROUP CHAOHU C DRAGON PHARMACY CO LTD 2015-11-18 CN claimed
CN-104991033-A Method for measuring components of essential oil of ligusticum wallichii through quantitative analysis of multi-components by single marker SHANGHAI HAIHONG GROUP CHAOHU C DRAGON PHARMACEUTICAL CO LTD 2015-10-21 CN claimed
WO-2014139318-A1 APPLICATION OF PHTHALIDE COMPOUND 国钦生物科技股份有限公司 (CN) 2014-09-18 WO claimed
US-20140271568-A1 METHOD AND KIT FOR PROVIDING AN INCREASED EXPRESSION OF TELOMERASE, BRAIN-DERIVED NEUROTROPHIC FACTOR, STROMAL CELL-DERIVED FACTOR-1, CXC CHEMOKINE RECEPTOR 4, AND/OR IMMUNE REGULATORY FACTOR OF STEM CELL Hawking Biological Technology Co., Ltd (TW) 2014-09-18 US claimed
CN-104042606-A APPLICATION OF PHTHALIDE COMPOUND HAWKING BIOLOG TECHNOLOGY CO LTD 2014-09-17 CN claimed
CN-102657666-B Medical application of 1,2,3,4,6-O-pentagalloylglucose and composition thereof in preparation of demulcent medicaments UNIV CHINA PHARMA 2013-06-12 CN claimed
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP claimed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO claimed
CN-1569848-A Ligustilide for treating ischemic heart disease and its preparing method INST OF CHINESE MATERIA MEDICA (CN) 2005-01-26 CN claimed

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-20140271568-A1 METHOD AND KIT FOR PROVIDING AN INCREASED EXPRESSION OF TELOMERASE, BRAIN-DERIVED NEUROTROPHIC FACTOR, STROMAL CELL-DERIVED FACTOR-1, CXC CHEMOKINE RECEPTOR 4, AND/OR IMMUNE REGULATORY FACTOR OF STEM CELL CXCL12, CXCR4, BDNF TRPA1 2589/4885ALDH1A1 444/4885TSHR 931/4885

“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.