SCHEMBL3213376

SCHEMBL3213376

COC(OC)c1ccccc1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 1/20 0.32
IDO1 P14902 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP3A4 P08684 3/20 0.30
CYP2D6 P10635 3/20 0.30
KCNH2 Q12809 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
GABRA1 P14867 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
SCHEMBL17864869 0.82 ESR1 (0.40) ESR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL7920903 0.77 SLC6A2 (0.35) ESR1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL16054392 0.77 CYP2C9 (0.32) ESR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL6258936 0.75 MAPT (0.48) ESR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL2354738 0.73 GABRA1 (0.46) ESR1SLC6A2CA1CA2ACHE
SCHEMBL1918798 0.73 CA1 (0.57) CA1CA2ACHEIDO1CA12
SCHEMBL451129 0.73 ESR1 (0.34) ESR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL3206497 0.73 ESR1 (0.56) ESR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL20604273 0.73 MGAM (0.46) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL20604270 0.73 MGAM (0.46) SLC6A2SLC6A4SLC6A3CA1CA2

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 13 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
WO-2010012812-A1 BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES Westfälische Wilhelms Universität Münster (DE) 2010-02-04 WO 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 ESR1 566/4885SLC6A2 4524/4885SLC6A4 4222/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 ESR1 566/4885SLC6A2 4524/4885SLC6A4 4222/4885

“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.