SCHEMBL1784181

SCHEMBL1784181

CCC(C)CCCC=C(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1784180 1.00 PTPN1 (0.36) PTPN1ALOX15TSHRALDH1A1
SCHEMBL1783447 0.88 ALOX15 (0.41) PTPN1ALOX15TSHRALDH1A1
SCHEMBL1783445 0.88 ALOX15 (0.41) PTPN1ALOX15TSHRALDH1A1
SCHEMBL1783485 0.82 KDM1A (0.40) PTPN1ALOX15TSHR
SCHEMBL1783484 0.82 KDM1A (0.40) PTPN1ALOX15TSHR
SCHEMBL16195315 0.78 ACE2 (0.44) ALOX15TSHRALDH1A1
SCHEMBL1783548 0.76 KDM1A (0.39) PTPN1ALOX15TSHR
SCHEMBL25585810 0.76 ALDH1A1 (0.32) PTPN1ALOX15ALDH1A1
SCHEMBL1783550 0.76 KDM1A (0.39) PTPN1ALOX15TSHR
SCHEMBL4581845 0.76 PTPN1 (0.47) PTPN1ALOX15TSHRALDH1A1

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 4528/4885ALOX15 1416/4885TSHR 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.