SCHEMBL1786680

SCHEMBL1786680

CCCCC(C)CCCCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
ACE2 Q9BYF1 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.41
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.36
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
TP53 P04637 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
SCHEMBL28429705 0.98 TSHR (0.62) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL10929196 0.98 TSHR (0.62) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL28954637 0.98 TSHR (0.62) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL9112612 0.98 TSHR (0.62) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL31181886 0.98 TSHR (0.62) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL23925001 0.93 TSHR (0.70) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL8534503 0.93 TSHR (0.70) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL8533349 0.93 TSHR (0.70) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL9544428 0.93 TSHR (0.70) TSHRFAAHTRPV1ACE2ALDH1A1
SCHEMBL21380134 0.93 TSHR (0.70) TSHRFAAHTRPV1ACE2ALDH1A1

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-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
US-5116813-A Methyl-Branched Aliphatic Aldehyde or Alcohol KAO CORPORATION (JP) 1992-05-26 US disclosed
EP-0448740-A1 A perfume composition KAO CORPORATION (JP) 1991-10-02 EP 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 TSHR 2479/4885FAAH 94/4885TRPV1 8/4885

“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.