SCHEMBL1783665

SCHEMBL1783665

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 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
SCHEMBL1782022 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17378384 0.80 TET2 (0.35) ALDH1A1GPR84FFAR1
SCHEMBL1785687 0.79 TSHR (0.35) TSHRGPR84FFAR1
SCHEMBL1785302 0.79 TSHR (0.35) TSHRALDH1A1
SCHEMBL1296220 0.75 CA1 (0.40) ALDH1A1
SCHEMBL6494570 0.75 CA1 (0.40) ALDH1A1
SCHEMBL6494567 0.75 CA1 (0.40) ALDH1A1
SCHEMBL1784083 0.73 TSHR (0.42) TSHRGPR84FFAR1
SCHEMBL1660076 0.72 TSHR (0.50) TSHRALDH1A1
SCHEMBL31114412 0.72 TSHR (0.42) TSHR

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 TSHR 2479/4885ALDH1A1 520/4885GPR84 77/4885

“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.