1,4-Diisopentoxybenzene

1,4-Diisopentoxybenzene

SCHEMBL2846102

CC(C)CCOc1ccc(OCCC(C)C)cc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.79
MAPK1 P28482 1/20 0.68
EPHX2 P34913 1/20 0.63
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RARB P10826 1/20 0.49
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
MMP3 P08254 1/20 0.46

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
SCHEMBL2926534 0.91 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.91 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.91 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2841624 0.91 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
SCHEMBL11951590 0.89 TDP1 (0.71) TDP1MAPK1EPHX2GAAHTT
1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 0.89 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT
SCHEMBL19862541 0.89 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2566452 0.89 TDP1 (1.00) TDP1MAPK1EPHX2GAAHTT
SCHEMBL10873633 0.89 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT
SCHEMBL4390750 0.89 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT

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 TDP1 3012/4885MAPK1 4323/4885EPHX2 1204/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1624/4885MAPK1 4515/4885EPHX2 302/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1252/4885MAPK1 4550/4885EPHX2 428/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885MAPK1 4482/4885EPHX2 1083/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1255/4885MAPK1 4541/4885EPHX2 436/4885

“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.