SCHEMBL1783764

SCHEMBL1783764

CCCC(C)(C)CCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
SLC15A2 Q16348 1/20 0.36
GAA P10253 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CES1 P23141 3/20 0.33
CES2 O00748 3/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
ACHE P22303 1/20 0.31
PAOX Q6QHF9 1/20 0.31
FDPS P14324 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1783727 0.86 CES1 (0.39) ALDH1A1TDP1HSD17B10CES1CES2
SCHEMBL1785307 0.86 ALDH1A1 (0.41) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL8895484 0.84 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10CES1CES2
SCHEMBL8897151 0.82 CES2 (0.44) ALDH1A1TDP1HSD17B10CES1CES2
SCHEMBL1785746 0.82 ALDH1A1 (0.45) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL3966023 0.80 FFAR3 (0.50) ALDH1A1TDP1HSD17B10FFAR3HDAC3
SCHEMBL20489971 0.80 ALDH1A1 (0.39) ALDH1A1TDP1LMNAHSD17B10CES1
SCHEMBL1286514 0.80 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL21625335 0.78 LMNA (0.42) ALDH1A1TDP1LMNAHSD17B10CES1
SCHEMBL8897262 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10CES1CES2

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-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
US-4102928-A REACTING AN ALLYLIC HALIDE WITH 1-ACETYL-3,3-DIMETHYL-CYCLOHEXANE IN THE PRESENCE OF A CROWN ETHER, POTASSIUM HYDROXIDE, AND TOLUENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-07-25 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885TDP1 3995/4885LMNA 1708/4885

“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.