SCHEMBL1781241

SCHEMBL1781241

CC(=CC=O)CCCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PTPN1 P18031 2/20 0.43
KDM1A O60341 1/20 0.42
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SNCA P37840 1/20 0.32
PDE3A Q14432 1/20 0.32
BLM P54132 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 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
SCHEMBL1781238 1.00 ALDH1A1 (0.45) ALDH1A1PTPN1KDM1AKDM4CKDM4A
SCHEMBL15822466 0.94 PTPN1 (0.48) ALDH1A1PTPN1KDM1ALMNACA1
SCHEMBL1785861 0.94 PTPN1 (0.48) ALDH1A1PTPN1KDM1ALMNACA1
SCHEMBL1785863 0.94 PTPN1 (0.48) ALDH1A1PTPN1KDM1ALMNACA1
SCHEMBL10411567 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1
SCHEMBL214389 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1
SCHEMBL10411568 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1
SCHEMBL31211760 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1
SCHEMBL13277591 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1
SCHEMBL13277590 0.86 PTPN1 (0.61) ALDH1A1PTPN1KDM1ALMNAPTGS1

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 520/4885PTPN1 4528/4885KDM1A 2902/4885

“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.