SCHEMBL587213

SCHEMBL587213

C=CCc1cccc[n+]1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.50
HSD17B10 Q99714 1/20 0.39
ACHE P22303 2/20 0.37
TSHR P16473 2/20 0.37
HRH1 P35367 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL2005070 0.98 HDAC8 (0.48) HDAC8HSD17B10ACHETSHRHRH1
Bromide SCHEMBL440497 0.98 HDAC8 (0.48) HDAC8HSD17B10ACHETSHRHRH1
Acetic Acid SCHEMBL15210198 0.88 HDAC8 (0.41) HDAC8HSD17B10ACHETSHRHRH1
SCHEMBL2233854 0.76
SCHEMBL4413637 0.75 GABRA1 (0.34) HDAC8KDM4EALDH1A1MEN1KMT2A
SCHEMBL362206 0.75 HDAC8 (0.32) HDAC8
SCHEMBL8633170 0.75 ALDH1A1 (0.44) HDAC8KDM4EALDH1A1MEN1RAB9A
Iodide SCHEMBL9773064 0.73 HDAC8 (0.31) HDAC8
SCHEMBL1038673 0.73 KDM4E (0.41) HDAC8ACHEKDM4E
SCHEMBL329433 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638123-B1 WORKING MEDIUM FOR ABSORPTION HEAT PUMPS EVONIK DEGUSSA GMBH (DE) 2016-08-31 EP claimed
US-11198921-B2 Ionic liquid solvents of perhalide type for metals and metal compounds PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2021-12-14 US disclosed
EP-3495516-A1 IONIC LIQUID SOLVENTS OF PERHALIDE TYPE FOR METALS AND METAL COMPOUNDS Petroliam Nasional Berhad (Petronas) (MY) 2019-06-12 EP disclosed
US-10266913-B2 Ionic liquid solvents of perhalide type for metals and metal compounds PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2019-04-23 US disclosed
EP-2417272-B1 IONIC LIQUID SOLVENTS OF PERHALIDE TYPE FOR METALS AND METAL COMPOUNDS PETROLIAM NASIONAL BERHAD PETRONAS (MY) 2018-12-19 EP disclosed
CN-104611546-B For metal and the ion liquid solvent of the perhalide type of metallic compound 国家石油公司 2018-04-13 CN disclosed
EP-2257669-B1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF UNIV ALABAMA (US) 2017-03-22 EP disclosed
US-9394375-B2 Compositions containing recyclable ionic liquids for use in biomass processing BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-07-19 US disclosed
CN-102597277-B Ionic liquid solvents of the perhalide type for metals and metal compounds PETROLIAM NASIONAL BHD (PETRONAS) (MY) 2015-12-02 CN disclosed
CN-104611546-A Ionic liquid solvents of perhalide type for metals and metal compounds PETROLIAM NASIONAL BERHAD 2015-05-13 CN disclosed
US-20120245336-A1 COMPOSITIONS CONTAINING RECYCLABLE IONIC LIQUIDS FOR USE IN BIOMASS PROCESSING BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-09-27 US disclosed
CN-102597277-A Ionic liquid solvents of the perhalide type for metals and metal compounds PETROLIAM NASIONAL BERHAD 2012-07-18 CN disclosed
US-20120090430-A1 IONIC LIQUID SOLVENTS OF PERHALIDE TYPE FOR METALS AND METAL COMPOUNDS PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2012-04-19 US disclosed
EP-2417272-A1 IONIC LIQUID SOLVENTS OF PERHALIDE TYPE FOR METALS AND METAL COMPOUNDS Petroliam Nasional Berhad (PETRONAS) (MY) 2012-02-15 EP disclosed
US-20110251377-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2011-10-13 US disclosed
US-20100319862-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-12-23 US disclosed
EP-2257669-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF The Board Of Trustees Of The University Of Alabama (US) 2010-12-08 EP disclosed
WO-2010116167-A1 IONIC LIQUID SOLVENTS OF PERHALIDE TYPE FOR METALS AND METAL COMPOUNDS PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2010-10-14 WO disclosed
WO-2010056790-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-05-20 WO disclosed
WO-2009105236-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-08-27 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 (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-20110251377-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF IPMK, AGL, PGLS HDAC8 3632/4885HSD17B10 1692/4885ACHE 2067/4885
US-11198921-B2 Ionic liquid solvents of perhalide type for metals and metal compounds HPD, SLC39A14, TRHDE HDAC8 1576/4885HSD17B10 572/4885ACHE 649/4885
US-10266913-B2 Ionic liquid solvents of perhalide type for metals and metal compounds HPD, SLC39A14, TRHDE HDAC8 1576/4885HSD17B10 572/4885ACHE 649/4885

“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.