SCHEMBL79135

SCHEMBL79135

CC1=C(c2ccccc2N)C(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.38
TYMS P04818 1/20 0.37
ADORA2A P29274 2/20 0.36
PTPRC P08575 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 2/20 0.35
FGR P09769 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 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
SCHEMBL77529 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10TYMSMAOBPARP1
SCHEMBL78707 0.76 MAPK14 (0.36) ALDH1A1L3MBTL1HSD17B10MAOBKDM4E
SCHEMBL8899331 0.74 ALDH1A1 (0.52) BRD4ALDH1A1L3MBTL1HSD17B10ADORA2A
SCHEMBL23640904 0.73 ALDH1A1 (0.41) BRD4ALDH1A1L3MBTL1HSD17B10MEN1
SCHEMBL17480602 0.71 TBXA2R (0.37) BRD4TYMSKDM4EPARP1DPP4
SCHEMBL78463 0.70 ACHE (0.40) BRD4ALDH1A1L3MBTL1HSD17B10TYMS
SCHEMBL79391 0.68 ALDH1A1 (0.44) BRD4ALDH1A1L3MBTL1HSD17B10MAOB
SCHEMBL4016319 0.68 KDM4E (0.37) ALDH1A1HSD17B10TYMSKDM4ECYP3A4
SCHEMBL9455152 0.67 ALDH1A1 (0.43) BRD4ALDH1A1L3MBTL1HSD17B10ADORA2A
SCHEMBL8787496 0.65 ALDH1A1 (0.46) BRD4ALDH1A1L3MBTL1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129488-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2012-03-06 US disclosed
US-20090209712-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM., LTD. (KR) 2009-08-20 US disclosed
US-7538239-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-26 US disclosed
US-7531608-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-12 US disclosed
WO-2007007991-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
WO-2007007992-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
US-20070010638-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 US disclosed
US-20070010637-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 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-20070010638-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions CPNE4, AOC2, ODC1 BRD4 1530/4885ALDH1A1 4020/4885L3MBTL1 4443/4885

“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.