SCHEMBL1782816

SCHEMBL1782816

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KISS1R Q969F8 4/20 0.33
ALDH1A1 P00352 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAM17 P78536 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CPA1 P15085 1/20 0.31
LAP3 P28838 2/20 0.31
TSHR P16473 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
SCHEMBL1784275 0.81 PTPN1 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL1782615 0.80 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1ALDH1A1TDP1
SCHEMBL1784785 0.79 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1CPA1
SCHEMBL1782784 0.76 METAP1 (0.36) SLC1A3SLC1A2SLC1A1TDP1TSHR
SCHEMBL1782165 0.72 CA2 (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1TDP1
SCHEMBL13611203 0.72
SCHEMBL15116682 0.72
SCHEMBL13039796 0.72 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL14560234 0.71 LAP3 (0.36) SLC1A3SLC1A2KISS1RALDH1A1RNPEP
SCHEMBL1781745 0.71 LAP3 (0.36) SLC1A3SLC1A2KISS1RALDH1A1RNPEP

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 SLC1A3 4740/4885SLC1A2 4505/4885SLC1A1 4617/4885

“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.