1-Isopentoxy-2-Butoxybenzene

1-Isopentoxy-2-Butoxybenzene

SCHEMBL2848360

CCCCOc1ccccc1OCCC(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2C9 P11712 2/20 0.56
HTT P42858 1/20 0.54
IDO1 P14902 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MCHR1 Q99705 2/20 0.46
TLR8 Q9NR97 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LTA4H P09960 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2D6 P10635 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL21391872 0.92 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9HTTTDP1
SCHEMBL27555724 0.90 HTT (0.56) CYP1A2CYP2C19CYP2C9HTTIDO1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.90 HTT (0.62) HTTIDO1TDP1MCHR1TLR8
SCHEMBL21391871 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9HTTTDP1
1-Isopentoxy-2-Ethoxybenzene SCHEMBL2844377 0.86 L3MBTL1 (0.56) CYP1A2CYP2C19HTTIDO1TDP1
1,2-Dibutoxybenzene SCHEMBL1226749 0.85 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9TDP1MCHR1
1,2-Dibutoxybenzene SCHEMBL29428927 0.85 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9TDP1MCHR1
SCHEMBL7931093 0.85 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9TDP1MCHR1
SCHEMBL19806810 0.84 HTT (0.51) CYP1A2CYP2C19CYP2C9HTTIDO1
1,2-Dibutoxybenzene SCHEMBL6236324 0.83 CYP1A2 (0.69) CYP1A2CYP2C19CYP2C9TDP1MCHR1

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 4 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

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 CYP1A2 2344/4885CYP2C19 3989/4885CYP2C9 3051/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 CYP1A2 2220/4885CYP2C19 3786/4885CYP2C9 2754/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 CYP1A2 2251/4885CYP2C19 3809/4885CYP2C9 2789/4885

“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.