SCHEMBL14914486

SCHEMBL14914486

C[N+]1(CCCC(Br)[N+]2(C)CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 4/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
SLC22A2 O15244 1/20 0.32

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
SCHEMBL14915157 0.94 LMNA (0.39) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL16583998 0.93 LMNA (0.41) BBOX1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL419422 0.86
SCHEMBL923192 0.86
SCHEMBL2908299 0.83
SCHEMBL4798792 0.83
SCHEMBL1886006 0.81
SCHEMBL16767003 0.81
SCHEMBL15053253 0.79
SCHEMBL29112748 0.78 LCK (0.34) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766303-B1 SYNTHESIS OF MSE-FRAMEWORK TYPE MOLECULAR SIEVES EXXONMOBIL RES & ENG CO (US) 2017-11-22 EP disclosed
US-9035058-B2 Synthesis of MSE-framework type molecular sieves EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-05-19 US disclosed
US-20150087841-A1 SYNTHESIS OF MSE-FRAMEWORK TYPE MOLECULAR SIEVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-03-26 US disclosed
US-8916130-B2 Synthesis of MSE-framework type molecular sieves EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-12-23 US disclosed
US-20130115163-A1 SYNTHESIS OF MSE-FRAMEWORK TYPE MOLECULAR SIEVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-05-09 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 (2 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-20150087841-A1 SYNTHESIS OF MSE-FRAMEWORK TYPE MOLECULAR SIEVES MRPS2, B2M, UFM1 BBOX1 3183/4885KDM4E 486/4885LMNA 3785/4885
US-20130115163-A1 SYNTHESIS OF MSE-FRAMEWORK TYPE MOLECULAR SIEVES MRPS2, UFM1, B2M BBOX1 3456/4885KDM4E 453/4885LMNA 3760/4885

“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.