SCHEMBL79791

SCHEMBL79791

CC1=CC(C)C(C)=C1c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 3/20 0.35
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
BRD4 O60885 2/20 0.31
PPARG P37231 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
SCHEMBL22562268 0.74 ALDH1A1 (0.39) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL3671547 0.73 SLC6A2 (0.36)
SCHEMBL3671544 0.71 IDO1 (0.33) IDO1
SCHEMBL3671142 0.67 KDM4E (0.45) HSD17B10KDM4ENPC1GAATDP1
SCHEMBL78463 0.67 ACHE (0.40) ALDH1A1L3MBTL1HSD17B10GAATSHR
SCHEMBL23640904 0.66 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL21155323 0.65 ALDH1A1 (0.57) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL79391 0.64 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL169281 0.64 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1
SCHEMBL31607672 0.64 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10KDM4ENPC1

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-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
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
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 ALDH1A1 4020/4885L3MBTL1 4443/4885HSD17B10 2707/4885

“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.