SCHEMBL1783693

SCHEMBL1783693

CCCCC(O)C(C)(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 7/20 0.39
MAPK1 P28482 1/20 0.39
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 4/20 0.38
CTSK P43235 1/20 0.37
FDPS P14324 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
GPR84 Q9NQS5 3/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL1783552 0.94 TRPA1 (0.46) CA2TRPA1DDAH1GAPDHMAPT
SCHEMBL1785240 0.92 TRPA1 (0.44) CA2TRPA1DDAH1GAPDHMAPT
SCHEMBL1786619 0.86 TSHR (0.35) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1786930 0.80 GAPDH (0.46) TSHRSMN1; SMN2CA2MAPK1TRPA1
SCHEMBL1786928 0.80 GAPDH (0.46) TSHRSMN1; SMN2CA2MAPK1TRPA1
SCHEMBL1784149 0.77
SCHEMBL27613407 0.76 TSHR (0.46) TSHRSMN1; SMN2CA2MAPK1TRPA1
SCHEMBL574359 0.74 TSHR (0.52) TSHRCA2MAPK1CA1FDPS
SCHEMBL2843015 0.72 CA2 (0.43) TSHRCA2MAPK1MAPTCA1
SCHEMBL8533665 0.72 CA2 (0.39) TSHRCA2MAPK1CA1FDPS

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-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
EP-0274075-B1 POLYVINYL ACETAL, LIGHT-SENSITIVE COMPOSITION CONTAINING IT AND REPRODUCTION MATERIAL MADE THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-26 EP disclosed
US-4940646-A Polyvinyl acetal with hydroxy aliphatic acetal groups useful in photosensitive negative working compositions HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0274075-A2 Polyvinyl acetal, light-sensitive composition containing it and reproduction material made therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-13 EP 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 TSHR 2479/4885SMN1; SMN2 2144/4885CA2 3566/4885

“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.