SCHEMBL7944792

SCHEMBL7944792

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
FDPS P14324 1/20 0.43
CA2 P00918 8/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SLC15A1 P46059 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL27549713 0.93 CA1 (0.59) CA1FDPSACE2GPR84
SCHEMBL8114261 0.91 CA1 (0.57) CA1FDPSCA2ACE2GPR84
SCHEMBL8249566 0.85 CHRM1 (0.40) CA1FDPSMAPK1ACE2
SCHEMBL15386601 0.82 CA1 (0.52) CA1FDPSCA2MAPK1ACE2
SCHEMBL7939279 0.82 CA1 (0.47) CA1FDPSCA2MAPK1ACE2
SCHEMBL6674983 0.81 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL3003475 0.81 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL6681186 0.81 CA1 (0.50) CA1FDPSCA2MAPK1ACE2
SCHEMBL15386600 0.80 CA1 (0.45) CA1FDPSCA2MAPK1ACE2
SCHEMBL7546267 0.80

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-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 US claimed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
US-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CA1 3625/4885FDPS 1351/4885CA2 4293/4885

“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.