SCHEMBL13799320

SCHEMBL13799320

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NCF1 P14598 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
PLA2G4B P0C869 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL13799319 0.90 CA12 (0.42) CA12CA1CA2CA9BCHE
SCHEMBL13799314 0.88 PLA2G4B (0.40) CA12CA1CA2CA9PLA2G4B
SCHEMBL13799321 0.87 TSHR (0.50) TSHRRECQLALDH1A1NCF1HPGD
SCHEMBL13799323 0.82 TSHR (0.38) TSHRRECQLALDH1A1NCF1HPGD
SCHEMBL823871 0.80 CES2 (0.37)
SCHEMBL1469551 0.80 CES2 (0.37)
SCHEMBL13799312 0.77 MGLL (0.39) TSHRRECQLPLA2G4B
SCHEMBL13799315 0.76 PLA2G4B (0.47) PLA2G4B
SCHEMBL13799303 0.73 TSHR (0.65) TSHRRECQLALDH1A1KDM4EPLA2G4B
SCHEMBL14384733 0.73 GAA (0.46) ALDH1A1HPGDNPC1PLA2G4B

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 4532/4885ALDH1A1 2500/4885

“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.