SCHEMBL1658244

SCHEMBL1658244

CCCC(C)C(C)CCCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
METAP1 P53582 1/20 0.37
OPRM1 P35372 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL6242394 0.97 LMNA (0.50) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1658306 0.92 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1660019 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL811727 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL6003917 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1658309 0.82 LMNA (0.43) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL10416799 0.82 LMNA (0.57) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL5354545 0.82 LMNA (0.43) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1657137 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1051985 0.80 TSHR (0.48) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10

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 SMN1; SMN2 2144/4885ALDH1A1 520/4885TSHR 2479/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SMN1; SMN2 2797/4885ALDH1A1 685/4885TSHR 3786/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SMN1; SMN2 2797/4885ALDH1A1 685/4885TSHR 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.