SCHEMBL1781950

SCHEMBL1781950

CCCC(=O)CC(C)OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28978748 0.83 ALDH1A1 (0.35) ALDH1A1TSHRLMNA
SCHEMBL10625547 0.81
SCHEMBL11600655 0.79 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL9261430 0.77 ALDH1A1 (0.33) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL2050674 0.75 CES2 (0.43) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL104701 0.75
SCHEMBL4055802 0.75 CACNA2D1 (0.33) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL5510941 0.74 HPGD (0.35) TSHR
SCHEMBL11892610 0.74 HPGD (0.35) TSHR
SCHEMBL12820937 0.74 ALDH1A1 (0.34) ALDH1A1CES2CES1HDAC3HDAC1

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 4 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
EP-2139889-B1 AMINO-NAPHTHYRIDINE DERIVATIVES TECH UNI CAROLO WILHELMINA ZU BRAUNSCHWEIG (DE) 2012-12-19 EP 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 ALDH1A1 520/4885CES2 1371/4885CES1 1998/4885

“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.