SCHEMBL2216669

SCHEMBL2216669

O=C(CCCC(=O)On1nnc2ncccc21)On1nnc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
ASAH1 Q13510 2/20 0.44
MGLL Q99685 1/20 0.38
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34

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
SCHEMBL2213739 0.96 SIRT2 (0.47) SIRT2SIRT1SIRT3ASAH1MGLL
SCHEMBL4952678 0.77 SIRT2 (0.56) SIRT2SIRT1SIRT3HDAC3HDAC4
SCHEMBL2217546 0.77 FAAH (0.43) SIRT2MGLLHPSEBRD4POLB
SCHEMBL11752297 0.74 SIRT2 (0.56) SIRT2SIRT1SIRT3HDAC3HDAC4
SCHEMBL2216539 0.73 SIRT2 (0.55) SIRT2SIRT1SIRT3HDAC3HDAC4
SCHEMBL24437290 0.73 SIRT2 (0.41) SIRT2SIRT1SIRT3ASAH1MGLL
SCHEMBL22970124 0.73 BACE1 (0.44) SIRT2SIRT1SIRT3ASAH1MGLL
SCHEMBL2217398 0.72 HPSE (0.45) SIRT2MGLLHPSEBRD4POLB
SCHEMBL12435616 0.72 HPSE (0.45) SIRT2MGLLHPSEBRD4POLB
SCHEMBL22965233 0.72 TNF (0.45) ASAH1ALDH1A1

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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US claimed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS MTCL3, BICRA, HMGB3 SIRT2 1266/4885SIRT1 1110/4885SIRT3 517/4885

“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.