1,3-Diisopentoxybenzene

1,3-Diisopentoxybenzene

SCHEMBL2846359

CC(C)CCOc1cccc(OCCC(C)C)c1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
GALR3 O60755 1/20 0.55
HSP90AA1 P07900 1/20 0.55
NR1H4 Q96RI1 2/20 0.51
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 1/20 0.47
PDK2 Q15119 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.44
NSD2 O96028 1/20 0.44

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-Isopentyloxy-3-Methoxybenzene SCHEMBL791293 0.92 NPSR1 (0.58) TDP1GALR3HSP90AA1MAPK1MEN1
1-Isopentyloxy-3-Ethoxybenzene SCHEMBL2840066 0.92 MAPK1 (0.53) TDP1GALR3HSP90AA1NR1H4MAPK1
3-Propoxy-1-Isopentoxybenzene SCHEMBL2839921 0.92 KMT2A (0.51) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL2843423 0.91 TDP1 (0.53) TDP1GALR3HSP90AA1MAPK1KMT2A
SCHEMBL2208810 0.91 TDP1 (0.53) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL19291689 0.91 GALR3 (0.49) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL29819005 0.91 TDP1 (0.53) TDP1GALR3HSP90AA1NR1H4MAPK1
SCHEMBL19806820 0.89 MAPK1 (0.50) TDP1GALR3HSP90AA1MAPK1MEN1
SCHEMBL7144506 0.88 SMN1; SMN2 (0.54) TDP1GALR3HSP90AA1MAPK1KMT2A
SCHEMBL29690388 0.88 SMN1; SMN2 (0.54) TDP1GALR3HSP90AA1MAPK1KMT2A

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 12 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP disclosed
US-4125512-A RESORCINOL DONOR, FORMALDEHYDE DONOR, CALCIUM SILICATE, GROUP 2A OR 3A METAL OXIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 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 (7 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 3012/4885GALR3 2122/4885HSP90AA1 1620/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1624/4885GALR3 14/4885HSP90AA1 3129/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1252/4885GALR3 13/4885HSP90AA1 3032/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885GALR3 2076/4885HSP90AA1 1715/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1255/4885GALR3 13/4885HSP90AA1 2994/4885
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 TDP1 3517/4885GALR3 335/4885HSP90AA1 3014/4885
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 TDP1 2551/4885GALR3 2839/4885HSP90AA1 4001/4885

“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.