SCHEMBL5316587

SCHEMBL5316587

O=C(O)COc1ccc(OCCOCCOCCOCCCCCCCCCCCS)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PLA2G4B P0C869 10/20 0.49
ALOX15 P16050 1/20 0.47
RARB P10826 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PPARD Q03181 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.44
PLA2G4A P47712 1/20 0.43

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
SCHEMBL4159198 0.85 TSHR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13812779 0.85 PLA2G4B (0.67) PLA2G4BRARBPLA2G4A
SCHEMBL13799313 0.81 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13799307 0.81 NR5A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14384731 0.80 HDAC1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL809992 0.80 ALOX15 (0.61) PLA2G4BALOX15ALDH1A1PPARDSMN1; SMN2
SCHEMBL13799315 0.79 PLA2G4B (0.47) PLA2G4BRARBPPARDSMN1; SMN2PLA2G4A
SCHEMBL1468538 0.78 FOLH1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15370149 0.78 FOLH1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12130360 0.78 FOLH1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 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
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 HDAC3 4059/4885HDAC4 4527/4885HDAC1 4182/4885

“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.