SCHEMBL3213344

SCHEMBL3213344

Brc1c(C2(c3ccccc3)OCCO2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
NCEH1 Q6PIU2 4/20 0.31
HPRT1 P00492 1/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APAF1 O14727 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 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
SCHEMBL3209974 0.81 CYP2A6 (0.42) POLBTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL3198800 0.81 TSHR (0.33) TSHRALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL18287964 0.78 ABCG2 (0.39) POLBALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL3210989 0.78 POLB (0.42) POLBTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL3208639 0.74 POLB (0.39) POLBTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL1168000 0.73 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL18287940 0.73 HPGD (0.39) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL18287999 0.73 HPGD (0.39) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL18288008 0.72 TSHR (0.42) TSHRALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL1256099 0.71 CHEK2 (0.39) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1

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 POLB 964/4885TSHR 1891/4885ALDH1A1 1229/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 POLB 964/4885TSHR 1891/4885ALDH1A1 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.