SCHEMBL2108376

SCHEMBL2108376

C=CCC(CCO)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
SLC6A4 P31645 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TRPA1 O75762 1/20 0.32
LTA4H P09960 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MMP9 P14780 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1811046 0.86 CYP2C19 (0.41) CYP2C19ALDH1A1RECQLPPARGPPARA
SCHEMBL1778182 0.85 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL8961806 0.84 CYP2C19 (0.36) CYP2C19ALDH1A1PPARGPPARASMN1; SMN2
SCHEMBL5729586 0.83 ALDH1A1 (0.46) ALDH1A1RECQLPPARGPPARASMN1; SMN2
SCHEMBL10903531 0.82 CYP2C19 (0.42) CYP2C19ALDH1A1PPARGPPARASMN1; SMN2
SCHEMBL8761681 0.81 ALDH1A1 (0.41) CYP2C19ALDH1A1RECQLPPARGPPARA
SCHEMBL544771 0.80 ALDH1A1 (0.41) ALDH1A1RECQLPPARGPPARASMN1; SMN2
SCHEMBL28716660 0.80 ALDH1A1 (0.43) ALDH1A1RECQLPPARGPPARASMN1; SMN2
SCHEMBL28716659 0.80 ALDH1A1 (0.43) ALDH1A1RECQLPPARGPPARASMN1; SMN2
SCHEMBL27722724 0.79 CYP2C19 (0.37) CYP2C19ALDH1A1PPARGPPARASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158088-B2 Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds BATTELLE ENERGY ALLIANCE, LLC (US) 2012-04-17 US claimed
US-20100116749-A1 EXTRACTANT COMPOSITIONS FOR CO EXTRACTING CESIUM AND STRONTIUM, A METHOD OF SEPARATING CESIUM AND STRONTIUM FROM AN AQUEOUS FEED, CALIXARENE COMPOUNDS, AND AN ALCOHOL MODIFIER UT-BATTELLE, LLC 2010-05-13 US claimed
US-8158088-B2 Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds BATTELLE ENERGY ALLIANCE, LLC (US) 2012-04-17 US disclosed
US-20100116749-A1 EXTRACTANT COMPOSITIONS FOR CO EXTRACTING CESIUM AND STRONTIUM, A METHOD OF SEPARATING CESIUM AND STRONTIUM FROM AN AQUEOUS FEED, CALIXARENE COMPOUNDS, AND AN ALCOHOL MODIFIER UT-BATTELLE, LLC 2010-05-13 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 (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-20100116749-A1 EXTRACTANT COMPOSITIONS FOR CO EXTRACTING CESIUM AND STRONTIUM, A METHOD OF SEPARATING CESIUM AND STRONTIUM FROM AN AQUEOUS FEED, CALIXARENE COMPOUNDS, AND AN ALCOHOL MODIFIER CANX, CBX6, CALD1 CYP2C19 1319/4885ALDH1A1 1051/4885RECQL 4123/4885

“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.