SCHEMBL3211595

SCHEMBL3211595

CC(=O)c1c(C2=CC(C)=C(C)C2)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.42
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.36
TP53 P04637 1/20 0.36
MAOB P27338 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PKM P14618 2/20 0.34
DNMT1 P26358 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
HTT P42858 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL3207922 0.86 NPC1 (0.42) ALDH1A1HPGDMAPTHSD17B10CYP2C19
SCHEMBL3205220 0.85 ALDH1A1 (0.35) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL3199679 0.79 NCEH1 (0.41) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL3191678 0.79 NCEH1 (0.41) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL3202513 0.77 NCEH1 (0.42) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL3213220 0.75 ERN1 (0.45) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL3199087 0.75 NCEH1 (0.43) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL3211819 0.74 MAOB (0.42) ALDH1A1HPGDMAPTMAOBKDM4E
SCHEMBL27590995 0.73 CDC25B (0.49) ALDH1A1HPGDMAPTHSD17B10TP53
SCHEMBL3203068 0.73 NCEH1 (0.41) NCEH1ALDH1A1HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NCEH1 4212/4885ALDH1A1 1229/4885HPGD 3475/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 NCEH1 4212/4885ALDH1A1 1229/4885HPGD 3475/4885

“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.