SCHEMBL78727

SCHEMBL78727

CC1=CCC(C)=C1c1cc(C)cc(C)c1NC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
LCK P06239 1/20 0.40
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SOAT1 P35610 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31

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
SCHEMBL78472 0.80 HTT (0.35) HTTALDH1A1L3MBTL1MAPTUSP2
SCHEMBL78887 0.79 HTT (0.43) HTTLCKALDH1A1L3MBTL1MAPT
SCHEMBL79674 0.75 HTT (0.51) HTTLCKALDH1A1L3MBTL1SOAT1
SCHEMBL80445 0.74 CETP (0.48) LCKALDH1A1L3MBTL1MAPTUSP2
SCHEMBL15427846 0.67 HTT (0.62) HTTLCKALDH1A1L3MBTL1SOAT1
SCHEMBL18622119 0.66 HTT (0.61) HTTLCKALDH1A1L3MBTL1SOAT1
SCHEMBL1081736 0.65 HTT (0.59) HTTLCKALDH1A1L3MBTL1LMNA
SCHEMBL23317645 0.64 HTT (0.57) HTTLCKALDH1A1L3MBTL1SOAT1
SCHEMBL25311825 0.64 HTT (0.57) HTTLCKALDH1A1L3MBTL1SOAT1
SCHEMBL26575330 0.62 ALDH1A1 (0.55) HTTLCKALDH1A1L3MBTL1LMNA

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 HTT 3330/4885LCK 201/4885ALDH1A1 4020/4885

“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.