SCHEMBL1781897

SCHEMBL1781897

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PTPN1 P18031 1/20 0.34
KISS1R Q969F8 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL16280863 1.00 TSHR (0.36) TSHRPTPN1KISS1RALDH1A1MMP1
SCHEMBL1784217 0.95 TSHR (0.33) TSHRPTPN1
SCHEMBL1782009 0.81 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL14661746 0.80 OR51E2 (0.42) TSHRALDH1A1
SCHEMBL1782638 0.80 ALDH1A1 (0.40) KISS1RALDH1A1TDP1
SCHEMBL14662148 0.80 OR51E2 (0.42) TSHRALDH1A1
SCHEMBL8495464 0.80 OR51E2 (0.42) TSHRALDH1A1
SCHEMBL2945494 0.80 OR51E2 (0.42) TSHRALDH1A1
SCHEMBL14661330 0.80 OR51E2 (0.42) TSHRALDH1A1
SCHEMBL14661739 0.80 OR51E2 (0.42) TSHRALDH1A1

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 2479/4885PTPN1 4528/4885KISS1R 1523/4885

“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.