SCHEMBL1785307

SCHEMBL1785307

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PAOX Q6QHF9 3/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
CES1 P23141 5/20 0.34
CES2 O00748 5/20 0.33
LMNA P02545 2/20 0.33
SLC15A2 Q16348 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.31
AKR1B1 P15121 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
SCHEMBL8895484 0.93 ALDH1A1 (0.44) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL1783764 0.86 ALDH1A1 (0.43) ALDH1A1PAOXACHETDP1CES1
SCHEMBL1782224 0.84 ALDH1A1 (0.41) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL8897386 0.83 PAOX (0.45) ALDH1A1PAOXTDP1FFAR1CPT2
SCHEMBL8896773 0.83 CES1 (0.48) ALDH1A1TDP1FFAR1CES1CES2
SCHEMBL27587027 0.83 CES1 (0.48) ALDH1A1TDP1FFAR1CES1CES2
SCHEMBL22500641 0.82 AKR1B1 (0.52) ALDH1A1TDP1FFAR1CPT2LMNA
SCHEMBL1783727 0.82 CES1 (0.39) ALDH1A1TDP1FFAR1CPT2CES1
SCHEMBL8898733 0.82 ALDH1A1 (0.41) ALDH1A1PAOXACHETDP1CES1
SCHEMBL8899241 0.80 ALDH1A1 (0.39) ALDH1A1TDP1FFAR1CPT2CES1

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 2 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

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 520/4885PAOX 2315/4885ACHE 1079/4885

“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.