SCHEMBL18917600

SCHEMBL18917600

C[N+]1(CCCc2ccc(CCC[N+]3(C)CCCC3)cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CTDSP1 Q9GZU7 3/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
APOBEC3A P31941 3/20 0.44
APOBEC3G Q9HC16 3/20 0.44
BBOX1 O75936 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
Water SCHEMBL21143569 0.98 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
SCHEMBL9935176 0.90 KDM4E (0.54) CHRNA7CHRNB2CHRNA4CTDSP1KDM4E
Bromide SCHEMBL9671965 0.90 CHRNB2 (0.47) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
SCHEMBL9936229 0.88 ALDH1A1 (0.55) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
Bromide SCHEMBL9670755 0.88 CHRNB2 (0.46) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
SCHEMBL18945898 0.85 SIGMAR1 (0.55) CHRM2CHRM4
SCHEMBL18917605 0.84 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
SCHEMBL11133958 0.83 ALDH1A1 (0.54) CHRNA7CHRNB2CHRNA4CTDSP1LMNA
Bromide SCHEMBL11132066 0.83 CTDSP1 (0.51) CHRNA7CTDSP1LMNAKDM4EAPOBEC3A
Water SCHEMBL18917598 0.83 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4CTDSP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3383796-B1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RES & ENG CO (US) 2020-09-16 EP disclosed
US-10597300-B2 EMM-28, a novel synthetic crystalline material, its preparation and use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-03-24 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-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-04-09 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10597300-B2 EMM-28, a novel synthetic crystalline material, its preparation and use CD14, ERG28, DAP3 CHRNA7 4687/4885CHRNB2 4678/4885CHRNA4 4749/4885
US-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use CD14, ERG28, DAP3 CHRNA7 4687/4885CHRNB2 4678/4885CHRNA4 4749/4885
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 CHRNA7 4687/4885CHRNB2 4678/4885CHRNA4 4749/4885
US-20190218106-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 CHRNA7 4687/4885CHRNB2 4678/4885CHRNA4 4749/4885

“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.