1-Isopentyloxy-4-Ethoxybenzene

1-Isopentyloxy-4-Ethoxybenzene

SCHEMBL2839898

CCOc1ccc(OCCC(C)C)cc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.68
▸ NQO1 P15559 1/20 0.61
▸ MAPK1 P28482 1/20 0.59
▸ EPHX2 P34913 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
1,4-Diisopentoxybenzene SCHEMBL2846102 0.91 TDP1 (0.79) TDP1MAPK1EPHX2SMN1; SMN2TP53
SCHEMBL24482993 0.89 NQO1 (0.58) TDP1NQO1MAPK1EPHX2SMN1; SMN2
SCHEMBL2841624 0.87 TDP1 (0.68) TDP1MAPK1EPHX2SMN1; SMN2TP53
1-Isopentyloxy-3-Ethoxybenzene SCHEMBL2840066 0.84 MAPK1 (0.53) TDP1MAPK1TP53KDM4EALDH1A1
SCHEMBL5023581 0.83 TDP1 (0.63) TDP1MAPK1EPHX2SMN1; SMN2TP53
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.83 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2926534 0.83 TDP1 (0.68) TDP1MAPK1EPHX2SMN1; SMN2TP53
SCHEMBL4390750 0.81 TDP1 (0.66) TDP1MAPK1EPHX2SMN1; SMN2TP53
SCHEMBL11951590 0.81 TDP1 (0.71) TDP1MAPK1EPHX2SMN1; SMN2TP53
SCHEMBL2566452 0.81 TDP1 (1.00) TDP1MAPK1EPHX2SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2010-06-24 — — US disclosed
CN-100389133-C Catalyst for olefin polymerization and its uses CHINA PETROLEUM & CHEMICAL (CN) 2008-05-21 — — CN disclosed
CN-1297526-C Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2007-01-31 — — CN disclosed
CN-1769255-A Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-10 — — CN disclosed
CN-1765941-A Catalyst for olefin polymerization and its uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 — — CN 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 (4 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 TDP1 1624/4885NQO1 4260/4885MAPK1 4515/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1252/4885NQO1 4357/4885MAPK1 4550/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885NQO1 3305/4885MAPK1 4482/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1255/4885NQO1 4354/4885MAPK1 4541/4885

“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.

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