SCHEMBL1783631

SCHEMBL1783631

CCCC(C)CC(C)CCC=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 3/20 0.40
HIF1A Q16665 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
FAAH O00519 2/20 0.33
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14817185 0.90
SCHEMBL233139 0.90
Ethane SCHEMBL21143022 0.88 ALDH1A1 (0.46) ALDH1A1TSHRHIF1ATRPV1FAAH
SCHEMBL1786594 0.86 ALDH1A1 (0.38) ALDH1A1TSHRHIF1ATRPV1MAPK1
SCHEMBL31132202 0.85 TSHR (0.48) ALDH1A1TSHRHIF1ATRPV1FAAH
SCHEMBL31132197 0.83 TSHR (0.52) ALDH1A1TSHRTRPV1FAAH
SCHEMBL1784052 0.82 HIF1A (0.40) ALDH1A1TSHRHIF1AMAPK1TDP1
SCHEMBL1783884 0.81 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1
SCHEMBL27951894 0.79 ALDH1A1 (0.36) ALDH1A1TSHRHIF1A
SCHEMBL17381336 0.79 ALDH1A1 (0.42) ALDH1A1TSHRHIF1ATRPV1FAAH

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 2479/4885HIF1A 1980/4885

“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.