1,5-Pentanediol

1,5-Pentanediol

SCHEMBL923627

O=S(=O)(O)O.O=S(=O)(O)O.OCCCCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of 1,5-Pentanediol. 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 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 5/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CAMK2A Q9UQM7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MIF P14174 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
1,5-Pentanediol SCHEMBL1896067 1.00 CA5A (0.46) CA5ACA5BGPR84FFAR1FFAR4
1,6-Hexanediol SCHEMBL28157698 1.00 CA5A (0.46) CA5ACA5BGPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL445780 0.96 CA5A (0.50) CA5ACA5BGPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL924158 0.96 CA5A (0.50) CA5ACA5BGPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL921711 0.92 CA5A (0.46) CA5ACA5BGPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL27884349 0.92 CA5A (0.46) CA5ACA5BGPR84FFAR1FFAR4
Sulfuric Acid SCHEMBL920405 0.88 CA5A (0.50) CA5ACA5BGPR84FFAR1FFAR4
Sulfuric Acid SCHEMBL710960 0.88 CA5A (0.50) CA5ACA5BGPR84FFAR1FFAR4
SCHEMBL4300373 0.86 LMNA (0.47) GPR84FFAR1FFAR4LMNAALDH1A1
1,5-Pentanediol SCHEMBL2966670 0.86 LMNA (0.47) GPR84FFAR1FFAR4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-01-06 US disclosed
US-7754761-B2 Sulfonated compounds and compositions for treating amyloidosis BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-13 US disclosed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20080249184-A1 Methods for modulating neuronal cell death BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2008-10-09 US disclosed
US-20070265334-A1 Method for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-11-15 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
WO-1999040909-A1 METHOD FOR MODULATING MACROPHAGE ACTIVATION NEUROCHEM, INC. (CA) 1999-08-19 WO disclosed
US-5840294-A INHIBITING AMYLOID DEPOSITION BY ADMINISTERING A THERAPEUTIC COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-11-24 US disclosed
US-5728375-A ADMINISTERING A COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE; INHIBITS DEPOSITION BY PREVENTING INTERACTION BETWEEN AN AMYLOIDOGENIC PROTEIN AND A BASEMENT MEMBRANE CONSTITUENT QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-03-17 US disclosed
EP-0814842-A1 METHOD FOR TREATING AMYLOIDOSIS Queen's University at Kingston (CA) 1998-01-07 EP disclosed
US-5643562-A ANTIDEPOSIT AGENTS FOR PROTEINS FOR MEDICAL DIAGNOSIS OF DISEASES QUEEN'S UNIVERSITY OF KINGSTON (CA) 1997-07-01 US disclosed
WO-1996028187-A1 METHOD FOR TREATING AMYLOIDOSIS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1996-09-19 WO 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 (7 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-20070265334-A1 Method for treating amyloidosis TTR, IAPP, APP CA5A 1465/4885CA5B 1234/4885GPR84 3546/4885
US-20030108595-A1 Method for treating amyloidosis TTR, IAPP, APP CA5A 1465/4885CA5B 1234/4885GPR84 3546/4885
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT CA5A 546/4885CA5B 638/4885GPR84 1660/4885
US-20080249184-A1 Methods for modulating neuronal cell death GAP43, BAD, NLN CA5A 1760/4885CA5B 1527/4885GPR84 1427/4885
US-20010048941-A1 Method for treating amyloidosis TTR, APOB, NEFM CA5A 1670/4885CA5B 1887/4885GPR84 3432/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 CA5A 1376/4885CA5B 1099/4885GPR84 3776/4885
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS TTR, IAPP, APP CA5A 1465/4885CA5B 1234/4885GPR84 3546/4885

“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.