SCHEMBL1782224

SCHEMBL1782224

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PAOX Q6QHF9 5/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
GAA P10253 1/20 0.33
CES1 P23141 1/20 0.31
CES2 O00748 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1781497 0.93 PAOX (0.43) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL8897978 0.91 PAOX (0.46) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL1785746 0.85 ALDH1A1 (0.45) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL1785307 0.84 ALDH1A1 (0.41) ALDH1A1PAOXACHETDP1FFAR1
SCHEMBL11708539 0.83 KDM4E (0.43) ALDH1A1TDP1FFAR1CPT2
SCHEMBL20490032 0.81 FFAR1 (0.38) ALDH1A1TDP1FFAR1CPT2MEN1
SCHEMBL21015504 0.81 FFAR1 (0.38) ALDH1A1TDP1FFAR1CPT2LMNA
SCHEMBL15062352 0.81 TDP1 (0.48) ALDH1A1TDP1FFAR1CPT2LMNA
SCHEMBL8898451 0.79 TDP1 (0.39) ALDH1A1TDP1FFAR1CPT2KMT2A
SCHEMBL9686294 0.79 TDP1 (0.46) ALDH1A1TDP1FFAR1CPT2

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 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.