SCHEMBL2108251

SCHEMBL2108251

CCC(C)c1ccc(OCC(O)COCC(F)(F)C(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AR P10275 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL17036997 0.81 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL2626902 0.81 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL7166226 0.81 MAPT (0.48) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL7165673 0.80 HTT (0.44) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7163291 0.79 ALDH1A1 (0.37) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL7167447 0.77 SMN1; SMN2 (0.47) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL7167448 0.75 HTT (0.43) TDP1LMNAHTTHIF1AAR
SCHEMBL17036996 0.75 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL5792466 0.73 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL27709852 0.73 ALDH1A1 (0.60) ALDH1A1TSHRKMT2AMEN1TDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524469-B2 Extractant composition including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2009-04-28 — — US claimed
US-20080179568-A1 EXTRACTANT COMPOSITION INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS ENERGY, UNITED STATES DEPARTMENT OF 2008-07-31 — — US claimed
US-7291316-B2 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2007-11-06 — — US claimed
WO-2006016892-A2 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO, LLC (US) 2006-02-16 — — WO claimed
US-20050211955-A1 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC 2005-09-29 — — US claimed
US-6566561-B1 Phenoxy fluoro-alcohols, their preparation, and their use as phase modifiers and solvating agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY 2003-05-20 — — US claimed
US-8475747-B1 Processing fissile material mixtures containing zirconium and/or carbon U.S. DEPARTMENT OF ENERGY (US) 2013-07-02 — — US disclosed
US-8270554-B2 Methods of producing cesium-131 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2012-09-18 — — US disclosed
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-20100296616-A1 METHODS OF PRODUCING CESIUM-131 BATTELLE ENERGY ALLIANCE, LLC (US) 2010-11-25 — — 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
US-7524469-B2 Extractant composition including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2009-04-28 — — US disclosed
US-7524469-B2 Extractant composition including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2009-04-28 — — US disclosed
US-7291316-B2 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2007-11-06 — — US disclosed
WO-2006016892-A3 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO LLC (US) 2006-08-31 — — WO disclosed
WO-2006016892-A2 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO, LLC (US) 2006-02-16 — — WO disclosed
WO-2006016892-A2 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO, LLC (US) 2006-02-16 — — WO disclosed
US-20050211955-A1 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC 2005-09-29 — — US disclosed
US-20050211955-A1 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC 2005-09-29 — — US disclosed
US-6566561-B1 Phenoxy fluoro-alcohols, their preparation, and their use as phase modifiers and solvating agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY 2003-05-20 — — 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 857/4885KMT2A 4360/4885

“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.

Send feedback