Cyclohexanone

Cyclohexanone

SCHEMBL2304082

C1CCNC1.O=C1CCCCC1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.65
TRIM33 Q9UPN9 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CRBN Q96SW2 3/20 0.43
FKBP5 Q13451 1/20 0.43
CXCR4 P61073 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OR51E2 Q9H255 1/20 0.33
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL28684376 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL29018335 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
Cycloheptanone SCHEMBL16014570 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL7352869 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319296 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL23804316 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
Cycloheptanone SCHEMBL10636618 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL7328823 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL22319280 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5
SCHEMBL29121495 1.00 TRIM24 (0.65) TRIM24TRIM33ALDH1A1CRBNFKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-7776582-B2 for gas chromatography; identifying an optically enhanced chiral ionic liquid (OCIL) for enantiomeric resolution SIGMA-ALDRICH CO. (US) 2010-08-17 US disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20090145197-A1 Optically Enhanced Chiral Ionic Liquids SIGMA-ALDRICH CO. NEWCO INC. 2009-06-11 US disclosed
EP-1765781-A2 OPTICALLY ENHANCED CHIRAL IONIC LIQUIDS Sigma-Aldrich Co. (US) 2007-03-28 EP disclosed
WO-2006017148-A2 OPTICALLY ENHANCED CHIRAL IONIC LIQUIDS SIGMA-ALRICH CO. (US) 2006-02-16 WO disclosed
US-20060014955-A1 Optically enhanced chiral ionic liquids ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-01-19 US disclosed
EP-1123299-A1 PREPARATION OF BIS ARYL CYCLOPENTADIENYL GROUP IVA METAL DIHALIDES BOULDER SCIENTIFIC COMPANY (US) 2001-08-16 EP disclosed
WO-2001014389-A1 PREPARATION OF BIS ARYL CYCLOPENTADIENYL GROUP IVA METAL DIHALIDES BOULDER SCIENTIFIC COMPANY (US) 2001-03-01 WO disclosed
US-5268386-A Containing a carboxy group SHIONOGI & CO., LTD. (JP) 1993-12-07 US disclosed
EP-0415566-A1 Heterocyclic compounds, processes for producing them and pharmaceutical compositions comprising them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-06 EP 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 (2 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-20060014955-A1 Optically enhanced chiral ionic liquids GCG, INF2, ELOVL3 TRIM24 3593/4885TRIM33 4534/4885ALDH1A1 3108/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 TRIM24 1069/4885TRIM33 2080/4885ALDH1A1 2062/4885

“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.