SCHEMBL2108030

SCHEMBL2108030

CCCCCC(C)(C)c1ccc(OCCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CNR2 P34972 15/20 0.50
CNR1 P21554 10/20 0.50
NR5A1 Q13285 1/20 0.47
LTA4H P09960 1/20 0.45

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
SCHEMBL1592413 0.95 CYP3A4 (0.53) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL4074135 0.94 CYP3A4 (0.62) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL10492948 0.90 NR5A1 (0.53) CNR2CNR1NR5A1LTA4H
SCHEMBL10513794 0.89 NR5A1 (0.56) CNR2CNR1NR5A1LTA4H
SCHEMBL9776310 0.88 CYP3A4 (0.60) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL29376397 0.88 CYP3A4 (0.60) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL1890228 0.86 CNR2 (0.47) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL4238919 0.84 CNR2 (0.47) CYP3A4SMN1; SMN2CNR2CNR1NR5A1
SCHEMBL13298067 0.83 CYP3A4 (0.60) CYP3A4SMN1; SMN2
SCHEMBL19978962 0.83 KDM4E (0.52) CYP3A4SMN1; SMN2NR5A1LTA4H

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 5 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-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 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 CYP3A4 659/4885SMN1; SMN2 2527/4885CNR2 303/4885

“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.