1-Allyloxy-2-Butoxybenzene

1-Allyloxy-2-Butoxybenzene

SCHEMBL2847372

C=CCOc1ccccc1OCCCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.47
CYP2D6 P10635 2/20 0.47
SLC22A1 O15245 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
LIG1 P18858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 2/20 0.43

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-Allyloxy-2-Propoxybenzene SCHEMBL2842564 0.91 HPGD (0.53) CYP1A2CYP2C19CYP2C9HPGDTSHR
SCHEMBL10158237 0.88 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9HPGDTSHR
SCHEMBL2841571 0.85 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9HPGDTSHR
1,2-Diallyloxybenzene SCHEMBL29768784 0.84 HPGD (0.60) CYP1A2HPGDTSHRMAPK1HSD17B10
1,2-Diallyloxybenzene SCHEMBL366516 0.84 HPGD (0.60) CYP1A2HPGDTSHRMAPK1HSD17B10
1,2-Dibutoxybenzene SCHEMBL29428927 0.84 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9LMNACYP2D6
1,2-Dibutoxybenzene SCHEMBL1226749 0.84 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9LMNACYP2D6
1-Allyloxy-2-Ethoxybenzene SCHEMBL11755537 0.82 HPGD (0.51) CYP1A2CYP2C19HPGDTSHRMAPK1
SCHEMBL15120787 0.82 HTR2C (0.43) CYP1A2CYP2C19CYP2C9HPGDTSHR
1,2-Dibutoxybenzene SCHEMBL6236324 0.82 CYP1A2 (0.69) CYP1A2CYP2C19CYP2C9LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US claimed
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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 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
EP-0411787-A2 Microbiological production of 2,3-epoxypropyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-06 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 (6 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR CYP1A2 2658/4885CYP2C19 2603/4885CYP2C9 3509/4885
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B CYP1A2 2346/4885CYP2C19 4271/4885CYP2C9 3808/4885
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-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X CYP1A2 2093/4885CYP2C19 4132/4885CYP2C9 3604/4885
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.