1-Butyloxy-3-Propoxybenzene

1-Butyloxy-3-Propoxybenzene

SCHEMBL3390925

CCCCOc1cccc(OCCC)c1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
LTA4H P09960 2/20 0.59
KMT2A Q03164 2/20 0.58
GPBAR1 Q8TDU6 3/20 0.54
CYSLTR1 Q9Y271 2/20 0.54
PLA2G4B P0C869 2/20 0.54
CYSLTR2 Q9NS75 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4397448 0.96 TSHR (0.63) TSHRLTA4HKMT2AGPBAR1CYSLTR1
1-Propoxy-3-Pentoxybenzene SCHEMBL4568913 0.94 TSHR (0.68) TSHRLTA4HKMT2AGPBAR1CYSLTR1
1,3-Dipropoxybenzene SCHEMBL73716 0.93 KMT2A (0.63) TSHRLTA4HKMT2AGPBAR1CYSLTR1
SCHEMBL15923563 0.92 TSHR (0.71) TSHRLTA4HKMT2AGPBAR1CYSLTR1
SCHEMBL9487103 0.89 LTA4H (0.68) TSHRLTA4HKMT2AGPBAR1CYSLTR1
1-Butyloxy-3-Ethoxybenzene SCHEMBL3459049 0.89 MAPK1 (0.62) TSHRLTA4HKMT2AGPBAR1CYSLTR1
SCHEMBL11663051 0.89 TSHR (0.72) TSHRLTA4HKMT2AGPBAR1CYSLTR1
1-Butyloxy-3-Methoxybenzene SCHEMBL1071738 0.88 MAPK1 (0.61) TSHRLTA4HKMT2ACYP1A2CYP2C19
SCHEMBL3905859 0.87 TSHR (0.76) TSHRLTA4HGPBAR1CYSLTR1PLA2G4B
SCHEMBL4208924 0.87 TSHR (0.76) TSHRLTA4HGPBAR1CYSLTR1PLA2G4B

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 5 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-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-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 (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-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B TSHR 1738/4885LTA4H 256/4885KMT2A 36/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TSHR 3461/4885LTA4H 38/4885KMT2A 176/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TSHR 1753/4885LTA4H 227/4885KMT2A 46/4885

“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.