SCHEMBL1783610

SCHEMBL1783610

CCCCC(O)C(C)C=C(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
SPHK1 Q9NYA1 2/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
SLC15A1 P46059 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
CYP2D6 P10635 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1783608 1.00 PTPN1 (0.41) PTPN1SPHK1TSHRSMN1; SMN2MAPT
SCHEMBL1785706 0.89 PTPN1 (0.43) PTPN1LMNA
SCHEMBL1785705 0.89 PTPN1 (0.43) PTPN1LMNA
SCHEMBL11947807 0.81 PTPN1 (0.40) PTPN1
SCHEMBL1784698 0.80 PTPN1 (0.49) PTPN1TSHRTRPA1GAPDH
SCHEMBL1784697 0.80 PTPN1 (0.49) PTPN1TSHRTRPA1GAPDH
SCHEMBL1785030 0.79 TSHR (0.39) PTPN1TSHRSMN1; SMN2MAPTTRPA1
SCHEMBL1785032 0.79 TSHR (0.39) PTPN1TSHRSMN1; SMN2MAPTTRPA1
SCHEMBL11179784 0.78 TSHR (0.46) SPHK1TSHRSMN1; SMN2MAPTTRPA1
SCHEMBL1783784 0.78 TSHR (0.46) SPHK1TSHRSMN1; SMN2MAPTTRPA1

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 PTPN1 4528/4885SPHK1 1693/4885TSHR 2479/4885

“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.