SCHEMBL1658532

SCHEMBL1658532

CCCCC(C)C(C)CC(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SPHK1 Q9NYA1 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
DNM1 Q05193 2/20 0.35
CYP3A4 P08684 1/20 0.34
FDPS P14324 1/20 0.34
CA2 P00918 3/20 0.33
OPRM1 P35372 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 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
SCHEMBL6003910 0.85 ALDH1A1 (0.41) ALDH1A1SPHK1TSHRTDP1LMNA
SCHEMBL1658302 0.84 TSHR (0.40) ALDH1A1SPHK1TSHRTDP1LMNA
SCHEMBL3185161 0.81 DNM1 (0.47) ALDH1A1SPHK1TSHRTDP1LMNA
SCHEMBL22345156 0.81 DNM1 (0.47) ALDH1A1SPHK1TSHRTDP1LMNA
SCHEMBL15238776 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTDP1LMNADNM1
SCHEMBL2396428 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTDP1LMNACYP3A4
SCHEMBL1658455 0.77 ACE2 (0.39) ALDH1A1SPHK1TSHRDNM1FDPS
SCHEMBL428260 0.77 GPR84 (0.40) ALDH1A1SPHK1TSHRDNM1FDPS
SCHEMBL7645140 0.77 TSHR (0.38) ALDH1A1SPHK1TSHRDNM1FDPS
Phosphine SCHEMBL27893451 0.76 ALDH1A1 (0.54) ALDH1A1TSHRTDP1LMNACYP3A4

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-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

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 520/4885SPHK1 1693/4885TSHR 2479/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885SPHK1 1772/4885TSHR 3786/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885SPHK1 1772/4885TSHR 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.