SCHEMBL78887

SCHEMBL78887

CC1=CCC(C)=C1c1c(C)cc(C)cc1NC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LCK P06239 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CETP P11597 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR35 Q9HC97 1/20 0.31
BRPF1 P55201 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
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
SCHEMBL78727 0.79 HTT (0.52) HTTLCKALDH1A1L3MBTL1LMNA
SCHEMBL80445 0.74 CETP (0.48) LCKALDH1A1CETPL3MBTL1LMNA
SCHEMBL77531 0.67 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL9126069 0.61 L3MBTL1 (0.61) HTTALDH1A1L3MBTL1LMNAGAA
SCHEMBL30922573 0.60 L3MBTL1 (0.46) HTTALDH1A1CETPL3MBTL1LMNA
SCHEMBL15946914 0.60 ALDH1A1 (0.52) HTTALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL12900892 0.60 PDK1 (0.70) HTTALDH1A1CETPL3MBTL1LMNA
SCHEMBL4969439 0.60 HSD17B2 (0.44) HTTLCKALDH1A1L3MBTL1LMNA
SCHEMBL14667342 0.60 HDAC2 (0.57) HTTALDH1A1CETPL3MBTL1LMNA
SCHEMBL34473349 0.60 ALDH1A1 (0.52) HTTALDH1A1L3MBTL1LMNAKDM4E

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 7 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
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.