1-Isopentyloxy-3-Ethoxybenzene

1-Isopentyloxy-3-Ethoxybenzene

SCHEMBL2840066

CCOc1cccc(OCCC(C)C)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
GALR3 O60755 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.47

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
1,3-Diisopentoxybenzene SCHEMBL2846359 0.92 TDP1 (0.57) MAPK1CYP1A2CYP2C19CYP3A4TDP1
3-Propoxy-1-Isopentoxybenzene SCHEMBL2839921 0.89 KMT2A (0.51) MAPK1TDP1GALR3HSP90AA1ALDH1A1
SCHEMBL2843423 0.87 TDP1 (0.53) MAPK1CYP1A2CYP2C19TDP1GALR3
1-Isopentyloxy-3-Methoxybenzene SCHEMBL791293 0.85 NPSR1 (0.58) MAPK1CYP1A2CYP2C19CYP3A4TDP1
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.84 TDP1 (0.68) MAPK1TP53TDP1ALDH1A1TSHR
SCHEMBL2208810 0.84 TDP1 (0.53) MAPK1CYP1A2CYP2C19CYP3A4TDP1
SCHEMBL29819005 0.84 TDP1 (0.53) MAPK1CYP1A2CYP2C19CYP3A4TDP1
SCHEMBL27865941 0.84 MAPK1 (0.51) MAPK1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL19291689 0.84 GALR3 (0.49) MAPK1CYP1A2CYP2C19CYP3A4TDP1
SCHEMBL19806820 0.82 MAPK1 (0.50) MAPK1CYP1A2CYP2C19CYP2D6CYP3A4

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 7 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-9125406-B2 Methods and compositions for control of cabbage looper, trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2015-09-08 US disclosed
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B MAPK1 4323/4885CYP1A2 2346/4885CYP2C19 4271/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 MAPK1 4515/4885CYP1A2 2344/4885CYP2C19 3989/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 MAPK1 4550/4885CYP1A2 2220/4885CYP2C19 3786/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X MAPK1 4482/4885CYP1A2 2093/4885CYP2C19 4132/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 MAPK1 4541/4885CYP1A2 2251/4885CYP2C19 3809/4885

“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.