SCHEMBL77531

SCHEMBL77531

CC1=CCC(C)=C1c1c(C)cc(C)cc1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4017362 0.75 KDM4E (0.34) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL28040791 0.68 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL78887 0.67 HTT (0.43) ALDH1A1MAPTKDM4ELMNAGAA
Ammonia Solution, Strong SCHEMBL79641 0.63
SCHEMBL79391 0.63 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL9848292 0.62 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL317299 0.60 RAPGEF4 (0.50) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL360400 0.60 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL29568340 0.60 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL394778 0.60 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ELMNAGAA

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 ALDH1A1 4020/4885MAPT 716/4885KDM4E 2895/4885

“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.