SCHEMBL13799321

SCHEMBL13799321

CC(=O)SCCCCCCCCCCCOCCOCCOCCOc1ccc(OCC(=O)NCCOCCOCCOCCOCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NCF1 P14598 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
PLA2G4B P0C869 4/20 0.42
PPARD Q03181 1/20 0.41
HPGD P15428 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13799312 0.89 MGLL (0.39) TSHRRECQLPLA2G4B
SCHEMBL13799320 0.87 TSHR (0.43) TSHRRECQLKDM4EALDH1A1NCF1
SCHEMBL13799315 0.87 PLA2G4B (0.47) PLA2G4BPPARDSMN1; SMN2
SCHEMBL13799303 0.86 TSHR (0.65) TSHRRECQLKDM4EALDH1A1PLA2G4B
SCHEMBL4159198 0.84 TSHR (0.52) TSHRRECQLKDM4EALDH1A1NCF1
SCHEMBL14384733 0.77 GAA (0.46) ALDH1A1NPC1PLA2G4BHPGDSMN1; SMN2
SCHEMBL13799306 0.77 NR5A1 (0.50) TSHRPLA2G4B
SCHEMBL13799319 0.77 CA12 (0.42) PLA2G4B
SCHEMBL13799314 0.75 PLA2G4B (0.40) PLA2G4B
SCHEMBL13799326 0.75 PRSS1 (0.57) PKM

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-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

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 4532/4885KDM4E 4006/4885

“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.