SCHEMBL18926549

SCHEMBL18926549

c1ccc(CCCN2CCCC2)c(CCCN2CCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
SIGMAR1 Q99720 5/20 0.58
HRH3 Q9Y5N1 3/20 0.58
SLC6A3 Q01959 2/20 0.55
DRD2 P14416 2/20 0.51
SLC6A4 P31645 1/20 0.51
HRH1 P35367 3/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
GRIN2B Q13224 1/20 0.50
HTR1A P08908 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL20124587 0.91 L3MBTL1 (0.55) LTA4HSIGMAR1HRH3SLC6A3DRD2
SCHEMBL19043759 0.91 LTA4H (0.51) LTA4HSIGMAR1HRH3SLC6A3DRD2
SCHEMBL19043541 0.87 HRH3 (0.80) LTA4HSIGMAR1HRH3SLC6A3DRD2
SCHEMBL7983264 0.87 CYP2D6 (0.57) LTA4HSIGMAR1HRH3SLC6A3DRD2
SCHEMBL791288 0.85 CYP2D6 (0.55) LTA4HSIGMAR1HRH3DRD2HRH1
SCHEMBL7923985 0.82 HRH3 (0.82) SIGMAR1HRH3DRD2ALDH1A1
SCHEMBL18934284 0.82 SIGMAR1 (0.51) SIGMAR1HRH3
SCHEMBL7491557 0.81 HRH3 (0.48) LTA4HSIGMAR1HRH3HRH1
SCHEMBL5302082 0.81 LTA4H (0.86) LTA4HSIGMAR1HRH3SLC6A3GRIN2B
SCHEMBL11337893 0.80 SIGMAR1 (0.60) LTA4HSIGMAR1HRH3SLC6A3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290749-A Novel synthetic crystalline EMM-28 material, its preparation and use 埃克森美孚研究工程公司 2018-07-17 CN claimed
CN-111491891-B EMM-31 material, method and use thereof 埃克森美孚科技工程公司 2023-07-04 CN disclosed
CN-108290749-B Novel synthetic crystalline EMM-28 material, its preparation and use 埃克森美孚科技工程公司 2022-06-24 CN disclosed
EP-3728119-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF ExxonMobil Research and Engineering Company (US) 2020-10-28 EP disclosed
EP-3383796-B1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RES & ENG CO (US) 2020-09-16 EP disclosed
US-10710889-B2 EMM-31 materials and processes and uses thereof EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2020-07-14 US disclosed
US-10710889-B2 EMM-31 materials and processes and uses thereof EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2020-07-14 US disclosed
US-20190218106-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RES & ENG CO (US) 2019-07-18 US disclosed
US-20190194028-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF EXXONMOBIL RES & ENG CO (US) 2019-06-27 US disclosed
US-20190194028-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF EXXONMOBIL RES & ENG CO (US) 2019-06-27 US disclosed
US-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-04-09 US disclosed
CN-108290749-A Novel synthetic crystalline EMM-28 material, its preparation and use 埃克森美孚研究工程公司 2018-07-17 CN disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 US disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 US disclosed
WO-2017095705-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-06-08 WO 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-20190194028-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF CD14, MASP2, FGB LTA4H 2193/4885SIGMAR1 4192/4885HRH3 2990/4885
US-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use CD14, ERG28, DAP3 LTA4H 3486/4885SIGMAR1 3782/4885HRH3 3023/4885
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 LTA4H 3486/4885SIGMAR1 3782/4885HRH3 3023/4885
US-20190218106-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 LTA4H 3486/4885SIGMAR1 3782/4885HRH3 3023/4885
US-10710889-B2 EMM-31 materials and processes and uses thereof CD14, MASP2, FGB LTA4H 2193/4885SIGMAR1 4192/4885HRH3 2990/4885

“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.