1-Isopentyloxy-3-Methoxybenzene

1-Isopentyloxy-3-Methoxybenzene

SCHEMBL791293

COc1cccc(OCCC(C)C)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAOB P27338 2/20 0.51
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
GALR3 O60755 1/20 0.50
HSP90AA1 P07900 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.49

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
1,3-Diisopentoxybenzene SCHEMBL2846359 0.92 TDP1 (0.57) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL13251242 0.91 MAPK1 (0.60) NPSR1MAPK1L3MBTL1MEN1CYP1A2
1-Isopentyloxy-3-Ethoxybenzene SCHEMBL2840066 0.85 MAPK1 (0.53) NPSR1MAPK1L3MBTL1MEN1CYP1A2
3-Propoxy-1-Isopentoxybenzene SCHEMBL2839921 0.85 KMT2A (0.51) NPSR1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL1729519 0.84 MAPK1 (0.75) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL19291689 0.84 GALR3 (0.49) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL2843423 0.84 TDP1 (0.53) MAPK1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL2208810 0.84 TDP1 (0.53) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL29819005 0.84 TDP1 (0.53) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL19806820 0.82 MAPK1 (0.50) NPSR1MAPK1L3MBTL1MEN1CYP1A2

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 31 patents — showing the first 20. 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (14 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NPSR1 3973/4885MAPK1 1154/4885L3MBTL1 4435/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NPSR1 4321/4885MAPK1 1446/4885L3MBTL1 4165/4885
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B NPSR1 3602/4885MAPK1 4323/4885L3MBTL1 47/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 NPSR1 3909/4885MAPK1 4/4885L3MBTL1 4204/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 NPSR1 1200/4885MAPK1 4550/4885L3MBTL1 3/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 NPSR1 1271/4885MAPK1 671/4885L3MBTL1 4838/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS NPSR1 4353/4885MAPK1 477/4885L3MBTL1 1677/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NPSR1 4353/4885MAPK1 477/4885L3MBTL1 1677/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 NPSR1 1158/4885MAPK1 4541/4885L3MBTL1 3/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NPSR1 4353/4885MAPK1 477/4885L3MBTL1 1677/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS NPSR1 4353/4885MAPK1 477/4885L3MBTL1 1677/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS NPSR1 4353/4885MAPK1 477/4885L3MBTL1 1677/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 NPSR1 3909/4885MAPK1 4/4885L3MBTL1 4204/4885
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 NPSR1 1271/4885MAPK1 671/4885L3MBTL1 4838/4885

“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.