SCHEMBL1782828

SCHEMBL1782828

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.37
ALDH1A1 P00352 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
CA1 P00915 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
SCHEMBL1785002 0.82 SLC1A3 (0.35) KISS1RALDH1A1TDP1ANPEPDNPEP
SCHEMBL1782638 0.81 ALDH1A1 (0.40) KISS1RALDH1A1RNPEPTDP1SLC7A5
SCHEMBL1296220 0.80 CA1 (0.40) KISS1RALDH1A1TDP1ANPEPDNPEP
SCHEMBL6494570 0.80 CA1 (0.40) KISS1RALDH1A1TDP1ANPEPDNPEP
SCHEMBL6494567 0.80 CA1 (0.40) KISS1RALDH1A1TDP1ANPEPDNPEP
SCHEMBL17378384 0.80 TET2 (0.35) ALDH1A1TDP1
SCHEMBL1785687 0.79 TSHR (0.35)
SCHEMBL108283 0.78
SCHEMBL16158874 0.78
SCHEMBL8277451 0.78

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 KISS1R 1523/4885ALDH1A1 520/4885RNPEP 4880/4885

“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.