SCHEMBL1782249

SCHEMBL1782249

CCC/C=C/CC(C)(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.36
ACLY P53396 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
FAAH O00519 3/20 0.32
CES1 P23141 2/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1782250 1.00 GGPS1 (0.36) GGPS1ACLYTAS1R3TAS1R1FAAH
SCHEMBL10584851 0.83 ACLY (0.48) GGPS1ACLYFAAHGMNNUSP2
SCHEMBL10584864 0.83 ACLY (0.48) GGPS1ACLYFAAHGMNNUSP2
SCHEMBL3635305 0.82 ALDH1A1 (0.34) LMNAMAPTALOX15RECQLBLM
SCHEMBL18092737 0.81 ACLY (0.34) ACLY
SCHEMBL2050434 0.76 ALDH1A1 (0.36) FAAHUSP2LMNAMAPTALOX15
SCHEMBL9577724 0.72 ACLY (0.38) GGPS1ACLYFAAHGMNNUSP2
SCHEMBL9577712 0.72 ACLY (0.38) GGPS1ACLYFAAHGMNNUSP2
SCHEMBL28912262 0.71 GGPS1 (0.37) GGPS1ACLYFAAHGMNNUSP2
SCHEMBL10583979 0.71 ACLY (0.55) GGPS1ACLYFAAHGMNNUSP2

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 GGPS1 647/4885ACLY 255/4885TAS1R3 65/4885

“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.