SCHEMBL1783849

SCHEMBL1783849

COC(CCCC(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
PTPN1 P18031 2/20 0.38
LMNA P02545 1/20 0.37
CA1 P00915 2/20 0.33
KDM1A O60341 1/20 0.33
KISS1R Q969F8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RARB P10826 1/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL1782237 0.96 LMNA (0.37) BLMPTPN1LMNACA1KDM1A
SCHEMBL1784171 0.86 CA1 (0.36) BLMCA1KISS1RALDH1A1TDP1
SCHEMBL1781871 0.82 BLM (0.33) BLMPTPN1CA1
SCHEMBL1784628 0.80 CA2 (0.45) CA1ALDH1A1TDP1
SCHEMBL1785198 0.78 ZDHHC7 (0.46) CA1
SCHEMBL29268375 0.78
SCHEMBL1782100 0.77 ZDHHC7 (0.48)
SCHEMBL1782849 0.77 ZDHHC7 (0.48)
SCHEMBL1784626 0.77 ZDHHC7 (0.48)
SCHEMBL1783634 0.77 CA1 (0.31) CA1

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 BLM 4418/4885PTPN1 4528/4885LMNA 1708/4885

“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.