SCHEMBL759676

SCHEMBL759676

CCCCCCCCCCCCOc1c2cccc1Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 5/20 0.52
GSTP1 P09211 5/20 0.52
TLR4 O00206 3/20 0.50
CD14 P08571 3/20 0.50
LY96 Q9Y6Y9 3/20 0.50
PTPRC P08575 4/20 0.43
PTPN2 P17706 4/20 0.43
PTPN1 P18031 4/20 0.43
PTPRB P23467 4/20 0.43
PTPN11 Q06124 4/20 0.43
TSHR P16473 1/20 0.43
CD69 Q07108 1/20 0.41
S1PR5 Q9H228 1/20 0.37
SMPD1 P17405 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL757636 0.94 GSTA1 (0.50) GSTA1GSTP1TLR4CD14LY96
SCHEMBL6202528 0.87 PTPRC (0.53) GSTA1GSTP1TLR4CD14LY96
SCHEMBL30702676 0.79 GSTA1 (0.57) GSTA1GSTP1TLR4CD14LY96
SCHEMBL6067606 0.79 GSTA1 (0.57) GSTA1GSTP1TLR4CD14LY96
SCHEMBL761363 0.79 GSTA1 (0.67) GSTA1GSTP1TLR4CD14LY96
SCHEMBL12856857 0.74 GSTA1 (0.56) GSTA1GSTP1TLR4CD14LY96
SCHEMBL31326111 0.74 GSTA1 (0.56) GSTA1GSTP1TLR4CD14LY96
SCHEMBL6820489 0.74 PTPRC (0.46) GSTA1GSTP1TLR4CD14LY96
SCHEMBL760971 0.72 GSTA1 (0.65) GSTA1GSTP1TLR4CD14LY96
SCHEMBL2108268 0.69 CD69 (0.44) TLR4PTPRCPTPN2PTPN1PTPRB

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-8481691-B2 Method for selectively extracting membrane proteins using calixarenes Centre National de la Recherche Scientifique—CNRS (FR) 2013-07-09 US disclosed
EP-2307116-B1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CENTRE NAT RECH SCIENT (FR) 2012-03-21 EP disclosed
US-20110144314-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2011-06-16 US disclosed
EP-2307116-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES Centre National de la Recherche Scientifique - CNRS (FR) 2011-04-13 EP disclosed
WO-2009144419-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-12-03 WO 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-20110144314-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CANX, CALD1, CALU GSTA1 1011/4885GSTP1 1424/4885TLR4 4564/4885

“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.