SCHEMBL1784150

SCHEMBL1784150

CCCCCC(C)C(C)(O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
FFAR1 O14842 1/20 0.39
FDPS P14324 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GRIK1 P39086 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIK2 Q13002 1/20 0.38
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL1784574 0.94 CA2 (0.42) CA1CA2ACE2FDPSSLC1A2
SCHEMBL1782839 0.85 CHRM1 (0.36) CA1CA2FDPS
SCHEMBL2038663 0.82 CA1 (0.45) CA1CA2ACE2GPR84FFAR1
Ammonia Solution, Strong SCHEMBL28649886 0.81 HSPD1 (0.46) CA1CA2ACE2GPR84FFAR1
SCHEMBL28035803 0.81 ACE2 (0.46) CA1CA2ACE2GPR84FFAR1
SCHEMBL25269145 0.78 CA2 (0.47) CA1CA2ACE2GPR84FFAR1
SCHEMBL1877951 0.76 OPRM1 (0.44) CA1CA2ACE2GPR84FFAR1
SCHEMBL27883325 0.76 OPRM1 (0.44) CA1CA2ACE2GPR84FFAR1
Acetic Acid SCHEMBL28389084 0.76 GRIK1 (0.45) CA2ACE2GPR84FFAR1FDPS
Ammonia Solution, Strong SCHEMBL11038653 0.76 LCK (0.43) CA1CA2ACE2GPR84FFAR1

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
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 CA1 3505/4885CA2 3566/4885ACE2 4401/4885

“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.