SCHEMBL7939279

SCHEMBL7939279

CCCCC(C)C(=O)C(C)=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
FDPS P14324 2/20 0.40
CA2 P00918 8/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
SLC15A1 P46059 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL7944792 0.82 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL15386601 0.78 CA1 (0.52) CA1FDPSCA2MAPK1ACE2
SCHEMBL3003475 0.77 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL6674983 0.77 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL6681186 0.77 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL15386600 0.77 CA1 (0.45) CA1FDPSCA2MAPK1ACE2
SCHEMBL7546267 0.77
SCHEMBL10037941 0.77
SCHEMBL7916216 0.77
SCHEMBL859004 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048461-A1 Regulators of Bacterial Signalling Pathways BIOSIGNAL LIMITED (AU) 2009-02-19 US disclosed
EP-0768294-B1 Process for preparing 2,4,4,7-tetramethyl-oct-6-en-3-on and its use as perfume HAARMANN & REIMER GMBH (DE) 2001-09-12 EP disclosed
US-6252120-B1 ALKENYLATION OF DIISOPROPYL KETONE WITH 1-CHLORO-3-METHYL-2-BUTENE IN AN AQUEOUS PHASE CATALYZED BY A PHASE TRANSFER CATALYST HAARMANN & REIMER GMBH (DE) 2001-06-26 US disclosed
EP-0768294-A1 Process for preparing 2,4,4,7-tetramethyl-oct-6-en-3-on and its use as perfume HAARMANN & REIMER GMBH (DE) 1997-04-16 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 (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-20090048461-A1 Regulators of Bacterial Signalling Pathways MRPL21, FNTB, ATF1 CA1 4884/4885FDPS 4/4885CA2 4363/4885

“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.