SCHEMBL1660609

SCHEMBL1660609

CCCC(OC)C(C)C=CCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL1660608 1.00 TSHR (0.35) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1658667 0.89 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1658669 0.89 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1660579 0.87 LMNA (0.34) TSHRCYP2D6
SCHEMBL1660581 0.87 LMNA (0.34) TSHRCYP2D6
SCHEMBL1658267 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1658269 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1659678 0.84 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL15285674 0.84 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1659680 0.84 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2D6CYP2C9

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 TSHR 2479/4885ALDH1A1 520/4885CYP3A4 2262/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 TSHR 3786/4885ALDH1A1 685/4885CYP3A4 2269/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 TSHR 3786/4885ALDH1A1 685/4885CYP3A4 2269/4885

“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.