SCHEMBL2485872

SCHEMBL2485872

CCCCP(=O)(O)CC(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.54
GABBR2 O75899 2/20 0.54
GABBR1 Q9UBS5 2/20 0.54
GABRR1 P24046 1/20 0.54
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
FDPS P14324 2/20 0.41

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
SCHEMBL2513023 0.86 TRPM8 (0.46) TRPM8GABBR2GABBR1GABRR1LPAR3
SCHEMBL1359576 0.84 GABBR2 (0.52) TRPM8GABBR2GABBR1GABRR1LPAR3
SCHEMBL2487026 0.83 TRPM8 (0.41) TRPM8
SCHEMBL2171447 0.82 TRPM8 (0.39) TRPM8GABBR2GABBR1GABRR1
SCHEMBL2172020 0.81 GABBR2 (0.48) TRPM8GABBR2GABBR1GABRR1LPAR3
SCHEMBL2353740 0.80 GABBR2 (0.59) GABBR2GABBR1GABRR1
SCHEMBL5085512 0.80 GABBR2 (0.39) TRPM8GABBR2GABBR1GABRR1
SCHEMBL497185 0.80 GABBR2 (0.76) TRPM8GABBR2GABBR1GABRR1LPAR3
SCHEMBL2352929 0.79 GABBR2 (0.57) TRPM8GABBR2GABBR1GABRR1LPAR3
SCHEMBL339782 0.79 GABBR2 (0.47) TRPM8GABBR2GABBR1GABRR1FDPS

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
EP-2379571-A1 METHOD FOR THE PRODUCTION OF MIXED-SUBSTITUTED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
US-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-06 US disclosed
WO-2010069419-A1 METHOD FOR THE PRODUCTION OF MIXED-SUBSTITUTED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 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-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof HAO2, ACSL3, SCO2 TRPM8 4064/4885GABBR2 3092/4885GABBR1 3390/4885

“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.