SCHEMBL1783503

SCHEMBL1783503

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KISS1R Q969F8 3/20 0.31
BLM P54132 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL1782154 0.86 BLM (0.42) CA1ALDH1A1TDP1ANPEPDNPEP
SCHEMBL1783945 0.81 TSHR (0.33)
SCHEMBL18610928 0.80 METAP1 (0.40) CA1ALDH1A1TDP1
SCHEMBL1783193 0.80 METAP1 (0.40) CA1ALDH1A1TDP1
SCHEMBL24355134 0.78 GABRR1 (0.44)
SCHEMBL1782908 0.77 KISS1R (0.41) ALDH1A1TDP1ANPEPDNPEPSLC1A3
SCHEMBL1782539 0.76 CA2 (0.40) CA1CA2
SCHEMBL1782202 0.75 GPR84 (0.47) CA1
SCHEMBL18611854 0.74
SCHEMBL1296220 0.74 CA1 (0.40) CA1ALDH1A1TDP1ANPEPDNPEP

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 CA1 3505/4885ALDH1A1 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.