SCHEMBL1781254

SCHEMBL1781254

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.48
SLC15A2 Q16348 1/20 0.48
CES1 P23141 4/20 0.45
CES2 O00748 3/20 0.45
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
CTSD P07339 1/20 0.36
ACHE P22303 1/20 0.35
PAOX Q6QHF9 1/20 0.35
CASP2 P42575 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL1781253 1.00 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2CES1CES2
SCHEMBL865687 0.81
SCHEMBL10577 0.81
SCHEMBL876374 0.81 ALDH1A1 (0.64) ALDH1A1LMNASLC15A2CES1CES2
SCHEMBL31607321 0.80 CES1 (0.44) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL22500716 0.80 FFAR3 (0.63) ALDH1A1LMNASLC15A2CES1CES2
SCHEMBL22500717 0.80 FFAR3 (0.63) ALDH1A1LMNASLC15A2CES1CES2
Methyl Alcohol SCHEMBL10757259 0.78
SCHEMBL21835093 0.78
SCHEMBL7626853 0.78

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 520/4885LMNA 1708/4885SLC15A2 4846/4885

“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.