SCHEMBL2108268

SCHEMBL2108268

C=CCOc1c2cccc1Cc1cccc(c1)Cc1cccc(c1OCC=C)Cc1cccc(c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.44
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CXCR5 P32302 3/20 0.36
TLR4 O00206 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPRC P08575 2/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPRB P23467 2/20 0.32
PTPN11 Q06124 2/20 0.32
HTR1A P08908 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1473328 0.87 CD69 (0.48) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL1724552 0.74 CD69 (0.49) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL8556505 0.73 GSTA1 (0.41) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL1398342 0.69 HSD17B10 (0.37) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL759676 0.69 GSTA1 (0.52) CD69TLR4TSHRPTPRCPTPN2
SCHEMBL1473043 0.68 ADRA2A (0.35) ADRA2AADRA2BADRA2CTLR4HSD17B10
SCHEMBL1628363 0.67 TSHR (0.50) ADRA2AADRA2BADRA2CHSD17B10HPGD
SCHEMBL10648647 0.66 KMT2A (0.47) ADRA2AADRA2BADRA2CCXCR5TLR4
SCHEMBL1858805 0.66 CA12 (0.39) ADRA2AADRA2BADRA2CCXCR5TLR4
SCHEMBL5079771 0.66 SCN4A (0.47) ADRA2AADRA2BADRA2CCXCR5TSHR

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 CD69 2290/4885ADRA2A 1176/4885ADRA2B 1379/4885

“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.