SCHEMBL15745552

SCHEMBL15745552

CCCCCCCCCCCCCCCN(C)Cc1ccc(CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 6/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.43
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
DNM1 Q05193 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL16421936 1.00 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AKDM4EPOLB
SCHEMBL7768067 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL8720913 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL7764937 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL7764359 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL8722902 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL8724611 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL8720392 0.94 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AKDM4EMAOB
SCHEMBL8254170 0.92 KDM4E (0.50) SIGMAR1MEN1KMT2AKDM4EPOLB
SCHEMBL7128368 0.92 SIGMAR1 (0.55) SIGMAR1MEN1KMT2AKDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980925-B2 Antimicrobial amphiphiles and methods for their use JAMES MADISON INNOVATIONS, INC. (US) 2015-03-17 US disclosed
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE James Madison Innovations, Inc, (US) 2014-05-29 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 (1 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-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE ANXA5, ANXA4, ANXA6 SIGMAR1 1289/4885MEN1 3309/4885KMT2A 4573/4885

“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.