SCHEMBL1783357

SCHEMBL1783357

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
CA1 P00915 6/20 0.42
FDPS P14324 2/20 0.40
CA2 P00918 7/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
BLM P54132 1/20 0.36
SLC15A1 P46059 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL13235847 0.92 ACE2 (0.58) ACE2CA1FDPSCA2FAAH
SCHEMBL1784139 0.86 TSHR (0.44) ACE2CA1FDPSSLC1A3SLC1A2
SCHEMBL15249703 0.86 TSHR (0.44) ACE2CA1FDPSSLC1A3SLC1A2
SCHEMBL11688625 0.83 ACE2 (0.62) ACE2CA1CA2MAPK1SLC1A3
SCHEMBL7546267 0.81
SCHEMBL859004 0.81
SCHEMBL10037941 0.81
SCHEMBL7916216 0.81
SCHEMBL11775527 0.81 ACE2 (0.46) ACE2CA1FDPSCA2MAPK1
SCHEMBL11776511 0.81 ACE2 (0.46) ACE2CA1FDPSCA2MAPK1

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-8911967-B2 One pot desialylation and glycopegylation of therapeutic peptides NOVO NORDISK A/S (DK) 2014-12-16 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ACE2 4401/4885CA1 3505/4885FDPS 3227/4885

“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.