SCHEMBL1783682

SCHEMBL1783682

CC(=O)CCC(C)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CA1 P00915 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BLM P54132 1/20 0.40
PTPN1 P18031 2/20 0.37
LMNA P02545 2/20 0.36
SLC15A2 Q16348 1/20 0.36
KDM1A O60341 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
ACHE P22303 1/20 0.31
PAOX Q6QHF9 1/20 0.31
CYP1A2 P05177 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
SCHEMBL31276194 0.86 BLM (0.57) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL11761446 0.86 LMNA (0.56) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL31508913 0.84 BLM (0.50) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL6337164 0.84 LMNA (0.48) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL35996 0.84
SCHEMBL3790342 0.84 CA1 (0.57) ALDH1A1CA1TDP1BLMLMNA
SCHEMBL7541851 0.84
SCHEMBL8703364 0.82 LMNA (0.46) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL8703362 0.82 LMNA (0.46) ALDH1A1CA1TDP1BLMPTPN1
SCHEMBL15091902 0.81

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 520/4885CA1 3505/4885TDP1 3995/4885

“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.