SCHEMBL1783923

SCHEMBL1783923

CCCCCCC(C)(C)CC=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
GGPS1 O95749 6/20 0.39
EPHX1 P07099 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 9/20 0.38
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL16526737 1.00 TSHR (0.46) TSHRFAAHTRPV1GGPS1EPHX1
SCHEMBL9520083 1.00 TSHR (0.46) TSHRFAAHTRPV1GGPS1EPHX1
SCHEMBL27945907 1.00 TSHR (0.46) TSHRFAAHTRPV1GGPS1EPHX1
SCHEMBL1410637 0.98 TSHR (0.42) TSHRFAAHTRPV1GGPS1EPHX1
SCHEMBL1410490 0.91 TSHR (0.42) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL3372731 0.83 TDP1 (0.33) FFAR1CPT2TDP1
SCHEMBL27355281 0.82 TSHR (0.46) TSHRFAAHTRPV1FFAR1CPT2
SCHEMBL1410793 0.80
SCHEMBL1782782 0.80 FDPS (0.45) TSHRFAAHTRPV1GGPS1FDPS
SCHEMBL16940325 0.80 TSHR (0.70) TSHRFAAHTRPV1GGPS1EPHX1

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 5 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
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN 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
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 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 TSHR 2479/4885FAAH 94/4885TRPV1 8/4885

“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.