SCHEMBL3209145

SCHEMBL3209145

CCC(=O)c1cc(C(C)(C)C)ccc1C1=C(C)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3201606 0.87 HSP90AB1 (0.37) HSP90AB1HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL3191158 0.85 ALDH1A1 (0.36) HSP90AB1HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL3192851 0.84 HSP90AA1 (0.38) HSP90AB1HSP90AA1TDP1LMNAHTT
SCHEMBL3211710 0.83 CHRNA7 (0.38) HSP90AB1ALDH1A1PLA2G1BATG4BMAPT
SCHEMBL3216519 0.81 TDP1 (0.46) HSP90AA1ALDH1A1NPC1RAB9APLA2G1B
SCHEMBL3209719 0.80 HSP90AB1 (0.37) HSP90AB1HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL3208740 0.80 SMN1; SMN2 (0.40) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL3203041 0.80 HSP90AB1 (0.40) HSP90AB1HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL3213995 0.78 PDK2 (0.38) HSP90AB1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL3200517 0.78 HSP90AB1 (0.41) HSP90AB1HSP90AA1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed
CN-100357303-C Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2007-12-26 CN disclosed
CN-1817837-A Substituted cyclopentadiene and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1578783-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP 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 (2 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 HSP90AB1 3600/4885HSP90AA1 2887/4885ALDH1A1 1229/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 HSP90AB1 3600/4885HSP90AA1 2887/4885ALDH1A1 1229/4885

“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.