SCHEMBL1783004

SCHEMBL1783004

CC(=O)/C=C/C(O)CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FPR2 P25090 1/20 0.31
PTPN1 P18031 1/20 0.31
KISS1R Q969F8 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
CMKLR1 Q99788 1/20 0.30

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
SCHEMBL1783005 1.00 CA1 (0.38) CA1ACHEBACE1PPARGPPARD
SCHEMBL1783612 0.88 ACHE (0.41) CA1ACHEBACE1PPARGKDM1A
SCHEMBL1783611 0.88 ACHE (0.41) CA1ACHEBACE1PPARGKDM1A
SCHEMBL1783536 0.82 ACHE (0.36) ACHEBACE1PPARGPPARDPPARA
SCHEMBL1783533 0.82 ACHE (0.36) ACHEBACE1PPARGPPARDPPARA
SCHEMBL1786712 0.80 ACHE (0.44) ACHEBACE1PPARGPPARDPPARA
SCHEMBL1786504 0.80 ALDH1A1 (0.38) PPARGPPARDPPARAALDH1A1TDP1
SCHEMBL11762607 0.80 CA1 (0.34) CA1KDM1AALDH1A1TDP1SLC1A3
SCHEMBL11762612 0.80 CA1 (0.34) CA1KDM1AALDH1A1TDP1SLC1A3
SCHEMBL1786710 0.80 ACHE (0.44) ACHEBACE1PPARGPPARDPPARA

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 3 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-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

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 CA1 3505/4885ACHE 1079/4885BACE1 2318/4885

“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.