Piroctone

Piroctone

SCHEMBL2137231

Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO.NCCO

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Piroctone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDH1 O75874 18/20 0.43

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
Piroctone SCHEMBL4728215 1.00 KDM4E (0.44) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL2843 1.00 KDM4E (0.44) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL457354 0.99 KDM4E (0.43) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL20598939 0.94 KDM4E (0.40) KDM4ELMNATP53CYP1A2ALOX12
Piroctone SCHEMBL30969893 0.92 IDH1 (0.48) IDH1
Piroctone SCHEMBL3588 0.92 IDH1 (0.50) IDH1
Piroctone SCHEMBL7568492 0.92 IDH1 (0.50) IDH1
Piroctone SCHEMBL28331516 0.91 IDH1 (0.47) IDH1
Piroctone SCHEMBL10357073 0.91 IDH1 (0.49) IDH1
Piroctone SCHEMBL1289257 0.91 IDH1 (0.49) IDH1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102552056-B Shampoo composition NICE GROUP CO LTD 2013-06-12 CN claimed
CN-102552056-A Shampoo composition NICE GROUP CO LTD 2012-07-11 CN claimed
EP-3802494-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF Clariant International Ltd (CH) 2021-04-14 EP disclosed
EP-3427583-B1 COMPOSITION COMPRISING SORBITAN MONOCAPRYLATE AND PIROCTONE OLAMINE CLARIANT INT LTD (CH) 2020-02-19 EP disclosed
EP-3427583-A1 COMPOSITION COMPRISING SORBITAN MONOCAPRYLATE AND PIROCTONE OLAMINE Clariant International Ltd (CH) 2019-01-16 EP disclosed
EP-2432316-B1 COMPOSITION CONTAINING SORBITAN MONOCAPRYLATE AND ANTIMICROBIAL SUBSTANCES CLARIANT INT LTD (CH) 2018-09-12 EP disclosed
CN-106232085-A Microcapsules containing colorants 塔格拉生物技术有限公司 2016-12-14 CN disclosed
CN-105163706-A Microcapsules comprising sunscreen agents TAGRA BIOTECHNOLOGIES LTD 2015-12-16 CN disclosed
CN-104983596-A Silicone oil free mild conditioning shampoo composition and preparation method thereof GUANGZHOU BAFEORII CHEMICAL CO LTD 2015-10-21 CN disclosed
US-8969390-B2 Composition containing sorbitan monocaprylate and antimicrobial substances CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-03 US disclosed
EP-2809649-A1 POLYGLYCOL-ETHER-FREE SULFOSUCCINATES BASED ON POLYGLYCERIN PARTIAL ESTERS AND USE THEREOF Evonik Industries AG (DE) 2014-12-10 EP disclosed
EP-2797571-A2 AQUEOUS HAIR AND SKIN CLEANING COMPOSITIONS COMPRISING BIOTENSIDES Evonik Industries AG (DE) 2014-11-05 EP disclosed
WO-2013113536-A1 POLYGLYCOL-ETHER-FREE SULFOSUCCINATES BASED ON POLYGLYCERIN PARTIAL ESTERS AND USE THEREOF EVONIK INDUSTRIES AG (DE) 2013-08-08 WO disclosed
WO-2013098066-A2 AQUEOUS HAIR AND SKIN CLEANING COMPOSITIONS COMPRISING BIOTENSIDES EVONIK INDUSTRIES AG (DE) 2013-07-04 WO disclosed
CN-102552056-B Shampoo composition NICE GROUP CO LTD 2013-06-12 CN disclosed
CN-102552056-A Shampoo composition NICE GROUP CO LTD 2012-07-11 CN disclosed
US-20120101135-A1 COMPOSITION CONTAINING SORBITAN MONOCAPRYLATE AND ANTIMICROBIAL SUBSTANCES CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-26 US disclosed
US-20080014166-A1 Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes CLARIANT INTERNATIONAL, LTD. 2008-01-17 US 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-20080014166-A1 Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes POLR1C, F12, MSR1 KDM4E 3398/4885LMNA 1447/4885TP53 2514/4885

“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.