SCHEMBL8738962

SCHEMBL8738962

COc1ccc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.81
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
RECQL P46063 1/20 0.56
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC2A1 P11166 1/20 0.52

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
SCHEMBL8738221 0.92 EZH2 (0.80) EZH2ATML3MBTL1MAPTMEN1
SCHEMBL8738237 0.91 EZH2 (0.81) EZH2MAPTALDH1A1MEN1KMT2A
SCHEMBL8738695 0.90 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738997 0.90 EZH2 (1.00) EZH2MAPTALDH1A1MEN1KMT2A
SCHEMBL17067308 0.89 EZH2 (0.74) EZH2ATML3MBTL1MEN1KMT2A
SCHEMBL8738594 0.88 EZH2 (0.77) EZH2ATML3MBTL1MAPTMEN1
SCHEMBL8738264 0.88 EZH2 (0.77) EZH2ATML3MBTL1MAPTMEN1
SCHEMBL8739028 0.88 EZH2 (0.80) EZH2ATML3MBTL1MAPTMEN1
SCHEMBL8738136 0.87 EZH2 (0.75) EZH2L3MBTL1MAPTALDH1A1MEN1
SCHEMBL8738308 0.86 EZH2 (0.73) EZH2ATML3MBTL1MAPTALDH1A1

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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 EZH2 61/4885ATM 1850/4885L3MBTL1 925/4885

“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.