SCHEMBL1658368

SCHEMBL1658368

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 4/20 0.32
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 0.32
CETP P11597 3/20 0.32
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
CXCR5 P32302 2/20 0.32
CCR6 P51684 2/20 0.32
BLM P54132 2/20 0.32
UBE2N P61088 2/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL1658369 1.00 MEN1 (0.33) MEN1KMT2ATSHRCYP3A4MAPT
SCHEMBL1659099 0.86 TSHR (0.39) TSHRMAPTALDH1A1
SCHEMBL1659101 0.86 TSHR (0.39) TSHRMAPTALDH1A1
SCHEMBL2003661 0.80 TAS1R3 (0.38) TSHRALDH1A1
SCHEMBL29101697 0.80 TAS1R3 (0.38) TSHRALDH1A1
SCHEMBL29101703 0.80 TAS1R3 (0.38) TSHRALDH1A1
SCHEMBL2003662 0.80 TAS1R3 (0.38) TSHRALDH1A1
SCHEMBL1658429 0.78 TSHR (0.38) MEN1KMT2ATSHRCYP3A4MAPT
SCHEMBL1658428 0.78 TSHR (0.38) MEN1KMT2ATSHRCYP3A4MAPT
SCHEMBL13703084 0.78 ALDH1A1 (0.32) TSHRMAPTALDH1A1

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
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 (2 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 MEN1 251/4885KMT2A 3562/4885TSHR 2479/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 MEN1 458/4885KMT2A 3700/4885TSHR 3786/4885

“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.