SCHEMBL6253985

SCHEMBL6253985

C=C(CCNC(=O)OCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 10/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL810364 0.81 EGLN1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7255174 0.80 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL27336202 0.79 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Methacrylic Acid SCHEMBL28074000 0.78 ACHE (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29834112 0.77 ACHE (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4926959 0.76 GAA (0.51) GLAKMT2AGAA
SCHEMBL27495408 0.76 ACHE (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1425763 0.76 GAA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5165665 0.76 ACHE (0.66) ACHE
SCHEMBL22369874 0.75 L3MBTL1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005055959-A2 BULKY MONOMERS LEADING TO RESINS EXHIBITING LOW POLYMERIZATION SHRINKAGE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-06-23 WO claimed
US-20050124721-A1 Bulky monomers leading to resins exhibiting low polymerization shrinkage E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 US claimed
WO-2005055959-A2 BULKY MONOMERS LEADING TO RESINS EXHIBITING LOW POLYMERIZATION SHRINKAGE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-06-23 WO disclosed
WO-2005055961-A1 DENTAL COMPOSITIONS CONTAINING CORE-SHELL POLYMERS WITH LOW MODULUS CORES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-06-23 WO disclosed
US-20050124721-A1 Bulky monomers leading to resins exhibiting low polymerization shrinkage E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 US disclosed
US-20050124762-A1 Dental compositions containing core-shell polymers with low modulus cores E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 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-20050124721-A1 Bulky monomers leading to resins exhibiting low polymerization shrinkage REV1, TERB1, RAD51 HDAC3 864/4885HDAC4 1398/4885HDAC1 685/4885

“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.