SCHEMBL1781497

SCHEMBL1781497

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.43
TDP1 Q9NUW8 2/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
GAA P10253 1/20 0.32
CES2 O00748 5/20 0.32
CES1 P23141 5/20 0.32
FAAH O00519 2/20 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
SCHEMBL8897978 0.98 PAOX (0.46) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL1782224 0.93 ALDH1A1 (0.41) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL8895484 0.84 ALDH1A1 (0.44) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL1785746 0.83 ALDH1A1 (0.45) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL27587027 0.83 CES1 (0.48) TDP1FFAR1ALDH1A1CES2CES1
SCHEMBL8896773 0.83 CES1 (0.48) TDP1FFAR1ALDH1A1CES2CES1
SCHEMBL8897386 0.83 PAOX (0.45) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL22500921 0.82 AKR1B1 (0.52) TDP1FFAR1CPT2ALDH1A1LMNA
SCHEMBL10257346 0.82 PAOX (0.43) PAOXTDP1FFAR1CPT2ALDH1A1
SCHEMBL8157866 0.80 TDP1 (0.56) TDP1FFAR1CPT2ALDH1A1LMNA

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 6 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
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP 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 PAOX 2315/4885TDP1 3995/4885FFAR1 229/4885

“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.