SCHEMBL1785064

SCHEMBL1785064

CCCCC(OC)C(C)/C=C(\C)C=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 4/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
SLC15A1 P46059 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
SCHEMBL1785067 1.00 PTPN1 (0.35) PTPN1CA1CA2TSHRSMN1; SMN2
SCHEMBL1781448 0.90 PTPN1 (0.37) PTPN1
SCHEMBL1781449 0.90 PTPN1 (0.37) PTPN1
SCHEMBL1783179 0.82 PTPN1 (0.42) PTPN1
SCHEMBL1783180 0.82 PTPN1 (0.42) PTPN1
SCHEMBL1782148 0.78 TSHR (0.43) CA1CA2TSHRSMN1; SMN2CTSK
SCHEMBL1657517 0.78 TRPA1 (0.35) CA1CA2
SCHEMBL1657519 0.78 TRPA1 (0.35) CA1CA2
SCHEMBL1783610 0.77 PTPN1 (0.41) PTPN1CA2TSHRSMN1; SMN2CTSK
SCHEMBL1783608 0.77 PTPN1 (0.41) PTPN1CA2TSHRSMN1; SMN2CTSK

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 4528/4885CA1 3505/4885CA2 3566/4885

“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.