SCHEMBL1783784

SCHEMBL1783784

CCCCC(O)C(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SPHK1 Q9NYA1 2/20 0.43
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
CTSK P43235 6/20 0.39
SLC15A1 P46059 1/20 0.37
FDPS P14324 1/20 0.37
CYP2D6 P10635 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL11179784 1.00 TSHR (0.46) TSHRSMN1; SMN2SPHK1MAPTTRPA1
SCHEMBL1786274 0.93 SPHK1 (0.52) TSHRSMN1; SMN2SPHK1MAPTTRPA1
SCHEMBL1781451 0.91 SPHK1 (0.55) SPHK1MAPTTRPA1DDAH1GAPDH
SCHEMBL1783266 0.91 SPHK1 (0.55) SPHK1MAPTTRPA1DDAH1GAPDH
SCHEMBL5499873 0.86
SCHEMBL1782596 0.86
SCHEMBL1784185 0.84 TSHR (0.41) TSHRSMN1; SMN2SPHK1MAPTTRPA1
SCHEMBL27279991 0.83 ALDH1A1 (0.45) TSHRSPHK1CYP2D6ADH1BADH1C
SCHEMBL1783970 0.82 LMNA (0.39) SPHK1TRPA1LMNABLMCYP3A4
SCHEMBL1784709 0.82 TRPA1 (0.39) SPHK1MAPTTRPA1DDAH1GAPDH

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 9 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-0043462-B1 ALKOXYALKYL-AMINOTRIAZINE-TRANSETHERIFYING PRODUCTS AND THEIR USE BASF Aktiengesellschaft (DE) 1985-05-08 EP disclosed
EP-0075822-B1 PROCESS FOR THE PREPARATION OF AMINOPLAST RESINS AND THEIR USE BASF Aktiengesellschaft (DE) 1985-04-24 EP disclosed
US-4393207-A BAKING FINISHES, ACID-HARDENING COATINGS BASF AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4387212-A AMINOTRIAZINE, HYDROXYALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed
EP-0075822-A1 Process for the preparation of aminoplast resins and their use BASF Aktiengesellschaft (DE) 1983-04-06 EP disclosed
EP-0043462-A2 Alkoxyalkyl-aminotriazine-transetherifying products and their use BASF Aktiengesellschaft (DE) 1982-01-13 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 2144/4885SPHK1 1693/4885

“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.