SCHEMBL1781758

SCHEMBL1781758

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TRPA1 O75762 2/20 0.41
ACLY P53396 1/20 0.34
FASN P49327 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1781757 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTRPA1ACLYFASN
SCHEMBL1781390 0.89 TRPA1 (0.46) ALDH1A1TSHRTRPA1
SCHEMBL1781389 0.89 TRPA1 (0.46) ALDH1A1TSHRTRPA1
SCHEMBL1786350 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1ACLYFASN
SCHEMBL1786351 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1ACLYFASN
SCHEMBL1785190 0.78 TSHR (0.48) ALDH1A1TSHRACLYFAAHTRPV1
SCHEMBL1786336 0.77 TRPA1 (0.42) ALDH1A1TSHRTRPA1
SCHEMBL1786334 0.77 TRPA1 (0.42) ALDH1A1TSHRTRPA1
SCHEMBL9501151 0.76 ACLY (0.52) ACLYFAAHTRPV1FFAR1CPT2
SCHEMBL1782363 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1ACLYFASN

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 ALDH1A1 520/4885TSHR 2479/4885TRPA1 1/4885

“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.