SCHEMBL1783613

SCHEMBL1783613

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 6/20 0.40
SLC15A1 P46059 1/20 0.38
FDPS P14324 1/20 0.38
FAAH O00519 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
CES1 P23141 1/20 0.36
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL1782449 0.93 CA1 (0.48) CA2CA1FDPSFAAHACE2
SCHEMBL431797 0.86 CA2 (0.39) CA2MAPK1CA1SLC15A1FDPS
SCHEMBL1782548 0.85 METAP1 (0.41) CA1FDPSFAAH
SCHEMBL13037047 0.83 ACE2 (0.40) CA2MAPK1CA1SLC15A1FDPS
SCHEMBL6251102 0.81 CA2 (0.52) CA2MAPK1CA1ACE2GPR84
SCHEMBL3500277 0.81 CA2 (0.52) CA2MAPK1CA1ACE2GPR84
SCHEMBL20489965 0.81 CA2 (0.41) CA2MAPK1CA1SLC15A1FDPS
SCHEMBL6250281 0.81 CA2 (0.52) CA2MAPK1CA1ACE2GPR84
SCHEMBL4054781 0.79 ABCB1 (0.44) CA2MAPK1CA1SLC15A1FDPS
SCHEMBL1782539 0.79 CA2 (0.40) CA2MAPK1CA1SLC15A1FDPS

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP 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 CA2 3566/4885MAPK1 150/4885CA1 3505/4885

“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.