SCHEMBL1782908

SCHEMBL1782908

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.41
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ANPEP P15144 3/20 0.34
DNPEP Q9ULA0 1/20 0.34
LAP3 P28838 4/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
ERAP1 Q9NZ08 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
SCHEMBL24355148 0.80 ALDH1A1 (0.38) KISS1RALDH1A1TDP1SLC7A5ANPEP
SCHEMBL14661562 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL14661618 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL14661604 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL14661539 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL14662081 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL14661614 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5LAP3SLC1A3
SCHEMBL1784045 0.78 PTPN1 (0.42)
SCHEMBL1783503 0.77 CA1 (0.37) KISS1RALDH1A1TDP1ANPEPDNPEP
SCHEMBL24355153 0.77 KISS1R (0.32) KISS1R

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 2 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

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 KISS1R 1523/4885ALDH1A1 520/4885TDP1 3995/4885

“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.