SCHEMBL1658247

SCHEMBL1658247

CCCCCC(C)C(C)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.46
OPRM1 P35372 1/20 0.44
GPR84 Q9NQS5 7/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39

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
SCHEMBL1658905 0.92 SPHK1 (0.38) SPHK1OPRM1GPR84CA1FFAR1
SCHEMBL16752628 0.86 SPHK1 (0.48) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL12173809 0.84 SPHK1 (0.50) SPHK1OPRM1GPR84CA1FFAR1
SCHEMBL1658298 0.84 SPHK1 (0.50) SPHK1OPRM1GPR84CA1FFAR1
SCHEMBL17930150 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL9001382 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL5684475 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL3390599 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL5684286 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA
SCHEMBL1660173 0.82 SPHK1 (0.54) SPHK1OPRM1GPR84FFAR1LMNA

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 6 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-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 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 (3 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 SPHK1 1693/4885OPRM1 69/4885GPR84 77/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SPHK1 1772/4885OPRM1 493/4885GPR84 64/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SPHK1 1772/4885OPRM1 493/4885GPR84 64/4885

“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.