SCHEMBL437891

SCHEMBL437891

CC(CCOCCC(=O)NO)(COCCC(=O)NO)COCCC(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC5 Q9UQL6 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
FOLH1 Q04609 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP3 P08254 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL437906 0.81 TSHR (0.43) KDM4ELMNAHSD17B10
SCHEMBL13805657 0.74 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10107167 0.73 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24309473 0.72 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20017038 0.72 FAAH (0.42) LMNA
SCHEMBL17268196 0.70 NAALAD2 (0.36) HDAC3HDAC1HDAC2HDAC8EGLN1
SCHEMBL18272803 0.69
SCHEMBL17642243 0.69 HRH3 (0.41)
SCHEMBL13132085 0.68 TSHR (0.50) KDM4ELMNAHSD17B10
SCHEMBL19646421 0.68 MEN1 (0.38)

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HDAC3 792/4885HDAC1 531/4885HDAC2 905/4885

“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.