SCHEMBL1658293

SCHEMBL1658293

CCCCC(C=CCCO)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
SPHK2 Q9NRA0 4/20 0.34
SPHK1 Q9NYA1 4/20 0.34
MAPT P10636 3/20 0.34
CETP P11597 3/20 0.34
GMNN O75496 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 2/20 0.34
CXCR5 P32302 2/20 0.34
CCR6 P51684 2/20 0.34
BLM P54132 2/20 0.34
UBE2N P61088 2/20 0.34

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
SCHEMBL1658290 1.00 ALDH1A1 (0.35) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1657489 0.95 MEN1 (0.38) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1657490 0.95 MEN1 (0.38) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1658748 0.93 MEN1 (0.40) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1658747 0.93 MEN1 (0.40) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1658378 0.89 ALDH1A1 (0.36) ALDH1A1ALOX15CYP2C19CYP3A4
SCHEMBL1658376 0.89 ALDH1A1 (0.36) ALDH1A1ALOX15CYP2C19CYP3A4
SCHEMBL30992181 0.86 MEN1 (0.35) ALDH1A1ALOX15CYP2C19CYP3A4MEN1
SCHEMBL1660674 0.84 ALDH1A1 (0.37) ALDH1A1ALOX15CYP2C19CYP3A4LMNA
SCHEMBL1660673 0.84 ALDH1A1 (0.37) ALDH1A1ALOX15CYP2C19CYP3A4LMNA

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 ALDH1A1 520/4885ALOX15 1416/4885CYP2C19 1727/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885ALOX15 2120/4885CYP2C19 1709/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885ALOX15 2120/4885CYP2C19 1709/4885

“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.