SCHEMBL4159198

SCHEMBL4159198

O=C(O)COCCOCCOCCOCCNC(=O)COc1ccc(OCCOCCOCCOCCCCCCCCCCCS)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PLA2G4B P0C869 3/20 0.43
PPARD Q03181 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL13799303 0.88 TSHR (0.65) TSHRRECQLKDM4EALDH1A1PLA2G4B
SCHEMBL13799313 0.87 HDAC3 (0.40) TSHRRECQLPLA2G4BHDAC3HDAC4
SCHEMBL5316587 0.85 HDAC3 (0.53) ALDH1A1PLA2G4BPPARDHDAC3HDAC4
SCHEMBL13799321 0.84 TSHR (0.50) TSHRRECQLNCF1KDM4EALDH1A1
SCHEMBL13799325 0.78 RECQL (0.44) TSHRRECQLNCF1KDM4EALDH1A1
SCHEMBL13812883 0.76 MGLL (0.54) TSHRRECQLPLA2G4B
SCHEMBL1468538 0.75 FOLH1 (0.43) TSHRALDH1A1CYP2C19PLA2G4BHDAC3
SCHEMBL15370149 0.75 FOLH1 (0.43) TSHRALDH1A1CYP2C19PLA2G4BHDAC3
SCHEMBL12130360 0.75 FOLH1 (0.43) TSHRALDH1A1CYP2C19PLA2G4BHDAC3
SCHEMBL809992 0.73 ALOX15 (0.61) TSHRALDH1A1PLA2G4BPPARD

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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
WO-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 WO disclosed
WO-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI TSHR 2242/4885RECQL 4532/4885NCF1 1868/4885

“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.