SCHEMBL1785002

SCHEMBL1785002

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CA1 P00915 2/20 0.34
KISS1R Q969F8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL1782828 0.82 KISS1R (0.37) CA1KISS1RALDH1A1TDP1ANPEP
SCHEMBL1782009 0.82 TSHR (0.42) SLC1A3SLC1A2SLC1A1CA1ALDH1A1
SCHEMBL1782638 0.81 ALDH1A1 (0.40) SLC1A3SLC1A2KISS1RALDH1A1TDP1
SCHEMBL6494570 0.80 CA1 (0.40) SLC1A3SLC1A2SLC1A1CA1KISS1R
SCHEMBL6494567 0.80 CA1 (0.40) SLC1A3SLC1A2SLC1A1CA1KISS1R
SCHEMBL1296220 0.80 CA1 (0.40) SLC1A3SLC1A2SLC1A1CA1KISS1R
SCHEMBL1783353 0.78 ACE2 (0.41) SLC1A3SLC1A2SLC1A1CA1
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 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.