1,4-Butanediol

1,4-Butanediol

SCHEMBL445780

O=S(=O)(O)O.OCCCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of 1,4-Butanediol. 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
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CAMK2A Q9UQM7 1/20 0.37
CA2 P00918 6/20 0.36
CA1 P00915 3/20 0.33
CA9 Q16790 2/20 0.33
NT5E P21589 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33

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
1,4-Butanediol SCHEMBL924158 1.00 CA5A (0.50) CA5ACA5BSMN1; SMN2GPR84FFAR1
1,6-Hexanediol SCHEMBL28157698 0.96 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
1,4-Butanediol SCHEMBL27884349 0.96 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
1,5-Pentanediol SCHEMBL923627 0.96 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
1,4-Butanediol SCHEMBL921711 0.96 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
1,5-Pentanediol SCHEMBL1896067 0.96 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
Sulfuric Acid SCHEMBL920405 0.92 CA5A (0.50) CA5ACA5BSMN1; SMN2GPR84FFAR1
Sulfuric Acid SCHEMBL710960 0.92 CA5A (0.50) CA5ACA5BSMN1; SMN2GPR84FFAR1
Sulfuric Acid SCHEMBL28086720 0.88 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1
Sulfuric Acid SCHEMBL923060 0.88 CA5A (0.46) CA5ACA5BSMN1; SMN2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220209012-U Battery pole piece and winding battery 微宏动力系统(湖州)有限公司 2023-12-19 CN claimed
CN-117012895-A Battery pole piece, winding battery and preparation method thereof 微宏动力系统(湖州)有限公司 2023-11-07 CN claimed
CN-116031482-A Secondary battery electrolyte, preparation method thereof, secondary battery and electronic equipment 华为终端有限公司 2023-04-28 CN claimed
CN-112225719-B Synthetic method of cyclic sulfate 湖南阿斯达新材料有限公司 2022-08-05 CN claimed
CN-109847099-B Multilayer soft tissue repair material and preparation method thereof 四川大学华西医院 2022-04-01 CN claimed
CN-111864275-B Battery cell, preparation method thereof and lithium ion battery 北京卫蓝新能源科技有限公司 2021-10-15 CN claimed
CN-108258312-B Non-aqueous electrolyte of high-voltage lithium ion battery 珠海市赛纬电子材料股份有限公司 2021-05-11 CN claimed
CN-110707357-B Gel polymer electrolyte with core-shell structure and preparation method and application thereof 北京卫蓝新能源科技有限公司 2021-05-07 CN claimed
CN-112225719-A Synthetic method of cyclic sulfate 湖南阿斯达新材料有限公司 2021-01-15 CN claimed
CN-111864275-A Battery cell, preparation method thereof and lithium ion battery 北京卫蓝新能源科技有限公司 2020-10-30 CN claimed
US-8470472-B2 Non-aqueous electrolyte secondary battery, and method for fabricating non-aqueous electrolyte secondary battery GS YUASA INTERNATIONAL LTD. (JP) 2013-06-25 US claimed
US-20120064396-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, AND METHOD FOR FABRICATNG NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY GS YUASA INTERNATIONAL LTD. (JP) 2012-03-15 US claimed
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-01-06 US claimed
EP-1064013-A4 $i(IN VITRO) FORMATION OF CONGOPHILIC MALTESE-CROSS AMYLOID PLAQUES TO IDENTIFY ANTI-PLAQUE THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S AND PRION DISEASES UNIV WASHINGTON (US) 2005-05-11 EP claimed
US-20030108595-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON 2003-06-12 US claimed
US-20010048941-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY OF KINGSTON 2001-12-06 US claimed
EP-1064013-A1 $i(IN VITRO) FORMATION OF CONGOPHILIC MALTESE-CROSS AMYLOID PLAQUES TO IDENTIFY ANTI-PLAQUE THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S AND PRION DISEASES University of Washington (US) 2001-01-03 EP claimed
WO-1999045947-A9 IN VITRO FORMATION OF CONGOPHILIC MALTESE-CROSS AMYLOID PLAQUES TO IDENTIFY ANTI-PLAQUE THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S AND PRION DISEASES UNIV WASHINGTON (US) 2000-03-02 WO claimed
WO-1999045947-A1 IN VITRO FORMATION OF CONGOPHILIC MALTESE-CROSS AMYLOID PLAQUES TO IDENTIFY ANTI-PLAQUE THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S AND PRION DISEASES UNIVERSITY OF WASHINGTON (US) 1999-09-16 WO claimed
US-5643562-A ANTIDEPOSIT AGENTS FOR PROTEINS FOR MEDICAL DIAGNOSIS OF DISEASES QUEEN'S UNIVERSITY OF KINGSTON (CA) 1997-07-01 US 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 (3 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-20030108595-A1 Method for treating amyloidosis TTR, IAPP, APP CA5A 1465/4885CA5B 1234/4885SMN1; SMN2 368/4885
US-20010048941-A1 Method for treating amyloidosis TTR, APOB, NEFM CA5A 1670/4885CA5B 1887/4885SMN1; SMN2 491/4885
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS TTR, IAPP, APP CA5A 1465/4885CA5B 1234/4885SMN1; SMN2 368/4885

“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.