SCHEMBL3205879

SCHEMBL3205879

CC1=CC(C)=C(c2ccccc2C(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
CCR6 P51684 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38

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
SCHEMBL3201613 0.86 HTT (0.48) CYP2C8CYP2C9MAPTALDH1A1NPSR1
SCHEMBL3191375 0.84 CYP2C8 (0.42) AKR1C3CYP2C8CYP2C9MAPTALDH1A1
SCHEMBL3201474 0.83 TDP1 (0.46) CYP2C8CYP2C9MAPTALDH1A1NPSR1
SCHEMBL3202040 0.83 ALDH1A1 (0.52) CYP2C8CYP2C9MAPTGAAALDH1A1
SCHEMBL3208692 0.82 CYP1A2 (0.37) CYP2C9
SCHEMBL28750930 0.80 CDC25B (0.48) CYP2C9MAPTALDH1A1NPSR1TDP1
SCHEMBL3205295 0.77 AKR1C3 (0.44) AKR1C3CYP2C8CYP2C9MAPTGAA
SCHEMBL3201131 0.77 AKR1C3 (0.44) AKR1C3CYP2C8CYP2C9MAPTGAA
SCHEMBL3201586 0.76 NPC1 (0.44) CYP2C8CYP2C9MAPTGAAALDH1A1
SCHEMBL3191470 0.76 AKR1C3 (0.43) AKR1C3CYP2C8CYP2C9MAPTGAA

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 AKR1C3 100/4885CYP2C8 1983/4885CYP2C9 1113/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 AKR1C3 100/4885CYP2C8 1983/4885CYP2C9 1113/4885

“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.