SCHEMBL1087741

SCHEMBL1087741

COC(=O)/C(=C/c1ccc(N(C)C)cc1)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
RECQL P46063 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
HSD17B3 P37058 1/20 0.42
MEN1 O00255 4/20 0.42

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
SCHEMBL14582037 0.88 APP (0.49) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL11983560 0.87 KMT2A (0.51) APPRECQLHDAC3HDAC4HDAC1
SCHEMBL13383124 0.84 APP (0.46) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL7132118 0.83 RECQL (0.51) RECQLALDH1A1KMT2AMAPTLMNA
SCHEMBL1915834 0.82 RECQL (0.69) RECQLKMT2AMAPTMEN1CYP3A4
SCHEMBL1915837 0.82 RECQL (0.69) RECQLKMT2AMAPTMEN1CYP3A4
SCHEMBL1915838 0.82 RECQL (0.69) RECQLKMT2AMAPTMEN1CYP3A4
SCHEMBL7617840 0.81 GSK3B (0.50) RECQLHDAC3HDAC1HDAC2HDAC8
SCHEMBL2171291 0.81 MEN1 (0.50) RECQLALDH1A1KMT2AMAPTLMNA
SCHEMBL27725356 0.81 RECQL (0.58) RECQLHDAC3HDAC4HDAC1HDAC7

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-8153615-B2 Synthesis of glycerolipid carbamates and dicarbamates and their use as an antitumor compounds THE UNIVERSITY OF MANITOBA (CA) 2012-04-10 US disclosed
US-20090042811-A1 Synthesis of Glycerolipid Carbamates and Dicarbamates and Their Use as an Antitumor Compounds THE UNIVERSITY OF MANITOBA (CA) 2009-02-12 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-20090042811-A1 Synthesis of Glycerolipid Carbamates and Dicarbamates and Their Use as an Antitumor Compounds PHOSPHO1, SGMS1, UGCG APP 4684/4885RECQL 2626/4885HDAC3 421/4885

“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.