SCHEMBL2626904

SCHEMBL2626904

CCCCCCCCCCOc1c2cccc1Cc1cccc3c1OCCOCCOc1ccccc1OCCOCCOc1c(cccc1Cc1cccc(c1OCCCCCCCCCC)C3)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 3/20 0.43
▸ GSTP1 P09211 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MTNR1A P48039 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ TLR4 O00206 2/20 0.34
▸ CD14 P08571 2/20 0.34
▸ LY96 Q9Y6Y9 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL2626907 1.00 GSTA1 (0.43) GSTA1GSTP1SMN1; SMN2LMNACRHBP
SCHEMBL2626909 1.00 GSTA1 (0.43) GSTA1GSTP1SMN1; SMN2LMNACRHBP
SCHEMBL2626906 0.89 SMN1; SMN2 (0.37) GSTA1GSTP1SMN1; SMN2LMNACRHBP
SCHEMBL20121194 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL20121197 0.85 SMN1; SMN2 (0.40) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626905 0.82 ALDH1A1 (0.36) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626911 0.82 ALDH1A1 (0.36) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2626908 0.81 SMN1; SMN2 (0.36) GSTA1GSTP1SMN1; SMN2LMNACRHBP
SCHEMBL18505803 0.81 CD69 (0.36) GSTA1GSTP1SMN1; SMN2LMNACRHBP
SCHEMBL18505802 0.80 CD69 (0.36) GSTA1GSTP1MTNR1A

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-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

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 GSTA1 3145/4885GSTP1 4078/4885SMN1; SMN2 2527/4885

“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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