SCHEMBL1784980

SCHEMBL1784980

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
RARB P10826 1/20 0.35
BLM P54132 1/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.31
CA1 P00915 2/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
KISS1R Q969F8 1/20 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
SCHEMBL1784455 0.90 GAA (0.43) GAACYP3A4LMNATDP1ALDH1A1
SCHEMBL1781190 0.79 GAA (0.45) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL1782466 0.78 GAA (0.43) GAAMEN1KMT2AALDH1A1
SCHEMBL1782815 0.77 GAA (0.39) GAACYP3A4LMNATDP1ALDH1A1
SCHEMBL1784694 0.77 GAA (0.41) GAATDP1ALDH1A1TSHR
SCHEMBL1782211 0.76 GAA (0.42) GAAMEN1KMT2AALDH1A1
SCHEMBL11039394 0.74 ACACB (0.41) GAABLMCYP3A4MEN1KMT2A
SCHEMBL1785734 0.74 GAA (0.48) GAALMNATDP1ALDH1A1TSHR
SCHEMBL7696692 0.73 MAPK1 (0.33) GAABLMMAPK1CA1
SCHEMBL12141711 0.73 ALDH1A1 (0.47) MEN1KMT2AALOX15LMNATDP1

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 GAA 4800/4885RARB 2590/4885BLM 4418/4885

“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.