SCHEMBL1783594

SCHEMBL1783594

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PAOX Q6QHF9 4/20 0.41
ACHE P22303 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
KDM1A O60341 1/20 0.35
CA1 P00915 2/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 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
SCHEMBL1781677 0.93 PAOX (0.44) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL15943069 0.85 ALDH1A1 (0.43) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL237372 0.84 ALDH1A1 (0.47) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL16360132 0.84 ALDH1A1 (0.47) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL16786175 0.84 ALDH1A1 (0.47) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL23396422 0.81 PAOX (0.43) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL1783122 0.81 ALDH1A1 (0.39) ALDH1A1PAOXACHECHRNB2CHRNB4
SCHEMBL20489977 0.80 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4CA1GABRP
SCHEMBL20129391 0.80 PAOX (0.52) ALDH1A1PAOXACHETDP1LMNA
SCHEMBL18222768 0.80 LMNA (0.48) ALDH1A1TDP1LMNAGABRPGABRD

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
US-4254038-A ODORS; PERFUMES; FOR COMPLEXING SOLVENTS ETHYL CORPORATION (US) 1981-03-03 US disclosed
US-4254037-A FOR PERFUMES, ODORANTS, COMPLEXING SOLVENTS ETHYL CORPORATION (US) 1981-03-03 US disclosed
US-4212812-A TREATING AN ALKENOL WITH A STRONG ACID TO EFFECT CYCLIZATION ETHYL CORPORATION (US) 1980-07-15 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.