1-Isopentoxy-2-Ethoxybenzene

1-Isopentoxy-2-Ethoxybenzene

SCHEMBL2844377

CCOc1ccccc1OCCC(C)C

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TLR8 Q9NR97 1/20 0.47
MCHR1 Q99705 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
1,2-Diisopentoxybenzene SCHEMBL2843498 0.92 HTT (0.62) L3MBTL1MAPTNPSR1HTTTDP1
SCHEMBL27555724 0.88 HTT (0.56) L3MBTL1MAPTNPSR1HTTTDP1
1-Isopentoxy-2-Butoxybenzene SCHEMBL2848360 0.86 CYP1A2 (0.56) L3MBTL1MAPTNPSR1HTTTDP1
1-Isopentoxy-2-Methoxybenzene SCHEMBL791645 0.84 HTT (0.60) L3MBTL1HTTTDP1CYP1A2IDO1
SCHEMBL4920959 0.83 L3MBTL1 (0.76) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL798973 0.82 HTT (0.54) L3MBTL1HTTTDP1CYP1A2CYP2C19
SCHEMBL4396926 0.82 HTT (0.58) L3MBTL1MAPTNPSR1HTTTDP1
SCHEMBL19806810 0.81 HTT (0.51) L3MBTL1MAPTNPSR1HTTTDP1
SCHEMBL385933 0.81 HTT (0.53) L3MBTL1MAPTNPSR1HTTTDP1
SCHEMBL891577 0.81 L3MBTL1 (0.62) L3MBTL1MAPTNPSR1HTTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922712-B1 Novel electron donor containing compositions UNION CARBIDE CHEM PLASTIC (US) 2002-12-18 EP claimed
US-5968865-A COORDINATION CATALYST COMPRISING MAGNESIUM, TITANIUM, HALIDE, AND 1,2-DIALKOXYBENZENE COMPOUNDS; OLEFIN POLYMERIZATION CATALYSTS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-10-19 US claimed
EP-0922712-A1 Novel electron donor containing compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-16 EP claimed
JP-11255693-A None JP disclosed
US-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 US disclosed
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR SIMON FRASER UNIVERSITY (CA) 2010-11-25 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
EP-0922712-B1 Novel electron donor containing compositions UNION CARBIDE CHEM PLASTIC (US) 2002-12-18 EP disclosed
US-6399837-B1 POLYMERIZATION CATALYST FOR OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-06-04 US disclosed
US-6124507-A USED IN THE MANUFACTURE OF OLEFIN POLYMERIZATION CATALYSTS WITH PROCATALYSTS HAVING MAGNESIUM, TITANIUM AND HALIDE AS ESSENTIAL COMPONENTS. 1-ETHOXY-2-ALKOXY-4,5,6-OPTIONALLY SUBSTITUTED BENZENES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-26 US disclosed
US-5968865-A COORDINATION CATALYST COMPRISING MAGNESIUM, TITANIUM, HALIDE, AND 1,2-DIALKOXYBENZENE COMPOUNDS; OLEFIN POLYMERIZATION CATALYSTS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-10-19 US disclosed
EP-0926119-A1 Dialkoxybenzene electron donors UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-30 EP disclosed
EP-0922712-A1 Novel electron donor containing compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-16 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 (3 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-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 L3MBTL1 3/4885MAPT 4810/4885NPSR1 1175/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 L3MBTL1 3/4885MAPT 4813/4885NPSR1 1200/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 L3MBTL1 3/4885MAPT 4820/4885NPSR1 1158/4885

“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.