Methyl Nonyl Ketone

Methyl Nonyl Ketone

SCHEMBL407270

Brc1csc2c(Br)csc12.CCCCCCCCCC(C)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.52
CA2 P00918 1/20 0.43
PLA2G4A P47712 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HSP90AA1 P07900 1/20 0.40
GPR84 Q9NQS5 6/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39

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
2-Nonanone SCHEMBL5429297 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL536829 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL11554565 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Dodecanone SCHEMBL23501396 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL7754309 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL24005728 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL966763 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Tridecanone SCHEMBL7749351 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL21044722 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL11380533 0.77 CES2 (0.65) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 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 (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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 GPR35 1/4885CA2 656/4885PLA2G4A 792/4885

“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.