1-Butyloxy-3-Ethoxybenzene

1-Butyloxy-3-Ethoxybenzene

SCHEMBL3459049

CCCCOc1cccc(OCC)c1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 2/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LTA4H P09960 2/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
PLA2G4B P0C869 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NQO1 P15559 1/20 0.52

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-Butyloxy-3-Ethoxybenzene SCHEMBL27446094 0.96 MAPK1 (0.58) MAPK1CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL4397448 0.94 TSHR (0.63) MAPK1CYP1A2CYP2C19CYP2D6TSHR
1-Ethoxy-3-Pentoxybenzene SCHEMBL3967143 0.92 TSHR (0.64) MAPK1CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL15923791 0.92 TSHR (0.69) MAPK1CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL24576335 0.92 MAPK1 (0.62) MAPK1CYP1A2CYP2C19CYP2D6TSHR
1-Ethoxy-3-Propoxybenzene SCHEMBL3459404 0.89 MAPK1 (0.59) MAPK1CYP1A2CYP2C19CYP2D6TSHR
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.89 TSHR (0.59) MAPK1CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL9487103 0.88 LTA4H (0.68) CYP1A2CYP2C19TSHRALDH1A1LTA4H
SCHEMBL11663051 0.87 TSHR (0.72) TSHRLTA4HPLA2G4BGPBAR1CYSLTR2
1,3-Diethoxybenzene SCHEMBL1100167 0.87 TP53 (0.71) MAPK1CYP1A2CYP2C19CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
US-7438404-B2 Ink-jet recording ink and image-forming method FUJIFILM CORPORATION (JP) 2008-10-21 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 (1 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-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 MAPK1 4550/4885CYP1A2 2220/4885CYP2C19 3786/4885

“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.