SCHEMBL1781867

SCHEMBL1781867

CCC(C)CCC(C)CCC=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.36
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 1/20 0.30
FAAH O00519 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL261739 0.95
SCHEMBL10146424 0.95
SCHEMBL5160007 0.95
Propane SCHEMBL1389491 0.92 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1HIF1A
Ethane SCHEMBL27996829 0.92 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1HIF1A
SCHEMBL592086 0.91 TSHR (0.39) ALDH1A1TSHRALOX15HIF1AFAAH
SCHEMBL1301758 0.91 TSHR (0.39) ALDH1A1TSHRALOX15HIF1AFAAH
SCHEMBL1300977 0.91 TSHR (0.39) ALDH1A1TSHRALOX15HIF1AFAAH
SCHEMBL8811536 0.91 TSHR (0.39) ALDH1A1TSHRALOX15HIF1AFAAH
SCHEMBL17381336 0.87 ALDH1A1 (0.42) ALDH1A1TSHRALOX15MAPK1TDP1

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 520/4885TSHR 2479/4885ALOX15 1416/4885

“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.