SCHEMBL1782228

SCHEMBL1782228

COC(C)C(C)C=C(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL1782227 1.00 PTPN1 (0.36) PTPN1ALDH1A1TSHR
SCHEMBL18136312 0.79 PTPN1 (0.33) PTPN1
SCHEMBL15499976 0.78 TSHR (0.41) PTPN1TSHR
SCHEMBL12152651 0.75 PTPN1 (0.40) PTPN1ALDH1A1TSHR
SCHEMBL1783179 0.75 PTPN1 (0.42) PTPN1
SCHEMBL1783180 0.75 PTPN1 (0.42) PTPN1
SCHEMBL5847383 0.73
SCHEMBL1783597 0.73 PTPN1 (0.42) PTPN1ALDH1A1TSHR
SCHEMBL1783596 0.73 PTPN1 (0.42) PTPN1ALDH1A1TSHR
SCHEMBL5847378 0.73

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 2 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

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 4528/4885ALDH1A1 520/4885TSHR 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.