SCHEMBL2216539

SCHEMBL2216539

O=C(CCCCCCC(=O)On1nnc2ccccc21)On1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.55
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
CYP4Z1 Q86W10 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP4F8 P98187 1/20 0.50
CYP4F12 Q9HCS2 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11752297 0.98 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4952678 0.95 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3133609 0.93 HPSE (0.59) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11601557 0.93 HPSE (0.59) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3148419 0.93 HPSE (0.59) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3148356 0.93 HPSE (0.59) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6552751 0.91 HPSE (0.57) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14423593 0.91 ASAH1 (0.53) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13782023 0.89 CYP4Z1 (0.51) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14125304 0.88 SIRT2 (0.50) SIRT2HDAC3HDAC4HDAC1HDAC7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US claimed
WO-2010136539-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS COVALX AG (CH) 2010-12-02 WO claimed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
WO-2010136539-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS COVALX AG (CH) 2010-12-02 WO disclosed
WO-2010136539-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS COVALX AG (CH) 2010-12-02 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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS MTCL3, BICRA, HMGB3 SIRT2 1266/4885HDAC3 56/4885HDAC4 158/4885

“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.