SCHEMBL2109347

SCHEMBL2109347

CCC(C)c1ccc(OC(O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
SLC7A5 Q01650 1/20 0.46
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C9 P11712 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL17679434 0.85 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL10203858 0.85 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL23208561 0.81 ALDH1A1 (0.50) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL12438456 0.80 ALDH1A1 (0.53) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL16382396 0.79 ALDH1A1 (0.49) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL13222523 0.79 ALDH1A1 (0.49) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL12667203 0.78 ALDH1A1 (0.51) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL9355102 0.78 ALDH1A1 (0.51) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL2758522 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL15299245 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGAAMAPTSLC7A5

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 2 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 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 ALDH1A1 1051/4885TSHR 857/4885GAA 3522/4885

“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.