SCHEMBL2108186

SCHEMBL2108186

CCCCCC(C)(C)c1ccc(OCC(C)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.49
▸ CNR1 P21554 14/20 0.49
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AR P10275 1/20 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
SCHEMBL7879429 0.86 LMNA (0.47) CNR2CNR1LMNAHSD17B10
SCHEMBL2108648 0.80 HTT (0.48) CNR2CNR1LMNAHSD17B10AR
SCHEMBL2108184 0.80 CYP3A4 (0.62) CNR1LMNAAR
SCHEMBL2108030 0.80 CYP3A4 (0.54) CNR2CNR1
SCHEMBL4074135 0.80 CYP3A4 (0.62) CNR2CNR1LMNA
SCHEMBL10492948 0.79 NR5A1 (0.53) CNR2CNR1
SCHEMBL1592413 0.78 CYP3A4 (0.53) CNR2CNR1
SCHEMBL10513794 0.77 NR5A1 (0.56) CNR2CNR1
SCHEMBL11142778 0.77 CNR2 (0.44) CNR2CNR1
SCHEMBL9636030 0.77 MAPK1 (0.55) CNR2CNR1LMNAHSD17B10AR

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-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-20100296616-A1 METHODS OF PRODUCING CESIUM-131 BATTELLE ENERGY ALLIANCE, LLC (US) 2010-11-25 — — 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 CNR2 303/4885CNR1 118/4885LMNA 3538/4885

“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.

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