SCHEMBL5061301

SCHEMBL5061301

C=CCOC(=O)C(CCCCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.58
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ CASP3 P42574 2/20 0.46
▸ TLR2 O60603 4/20 0.45
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 3/20 0.44
▸ CASP1 P29466 1/20 0.44

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
SCHEMBL25359258 0.96 KMT2A (0.54) KMT2AHDAC1HDAC2CASP3TLR2
SCHEMBL31144370 0.96 KMT2A (0.54) KMT2AHDAC1HDAC2CASP3TLR2
SCHEMBL26008676 0.96 KMT2A (0.54) KMT2AHDAC1HDAC2CASP3TLR2
SCHEMBL25359262 0.96 KMT2A (0.54) KMT2AHDAC1HDAC2CASP3TLR2
SCHEMBL28510322 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53
SCHEMBL10173082 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53
SCHEMBL15280776 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53
SCHEMBL30471287 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53
SCHEMBL29398585 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53
SCHEMBL29401691 0.92 KMT2A (0.51) KMT2ACASP3TLR2MDM4TP53

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-20080004290-A1 Anti-Cancer Agents THE UNIVERSITY OF QUEENSLAND (AU) 2008-01-03 — — US disclosed
EP-1694640-A4 ANTI-CANCER AGENTS UNIV QUEENSLAND (AU) 2007-01-10 — — EP disclosed
EP-1694640-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2006-08-30 — — EP disclosed
WO-2005051901-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2005-06-09 — — 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-20080004290-A1 Anti-Cancer Agents TP53, TOP2A, MCL1 KMT2A 2124/4885HDAC1 90/4885HDAC2 719/4885

“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.

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