SCHEMBL10051998

SCHEMBL10051998

BrCc1cc(CBr)cc(C[n+]2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
CHKA P35790 6/20 0.37
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL15745554 0.88 BCHE (0.58) BCHEACHEALDH1A1CHKALMNA
SCHEMBL10137263 0.86 BCHE (0.39) BCHEACHECHKA
SCHEMBL26497813 0.82 ACHE (0.53) BCHEACHEALDH1A1TRPA1TSHR
SCHEMBL22422901 0.76 ACHE (0.63) BCHEACHEALDH1A1CHKALMNA
Hydrochloric Acid SCHEMBL21328515 0.74 ACHE (0.61) BCHEACHEALDH1A1CHKALMNA
SCHEMBL10325407 0.72 ACHE (0.64) BCHEACHEALDH1A1CHKALMNA
SCHEMBL331501 0.71 TRPA1 (0.47) ALDH1A1TRPA1TSHR
Hydrochloric Acid SCHEMBL11637202 0.70 ACHE (0.61) BCHEACHEALDH1A1CHKALMNA
SCHEMBL93665 0.70 CHKA (0.59) BCHEACHEALDH1A1CHKALMNA
Bromide SCHEMBL2831425 0.70 ACHE (0.68) BCHEACHEALDH1A1CHKALMNA

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
US-10905118-B2 Triscationic amphiphile compounds, compositions, and methods for making same JAMES MADISON INNOVATIONS, INC. (US) 2021-02-02 US disclosed
US-20170135342-A1 NOVEL TRISCATIONIC AMPHIPHILE COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING SAME JAMES MADISON UNIVERSITY 2017-05-18 US disclosed
US-20170135342-A1 NOVEL TRISCATIONIC AMPHIPHILE COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING SAME JAMES MADISON UNIVERSITY 2017-05-18 US disclosed
US-8980925-B2 Antimicrobial amphiphiles and methods for their use JAMES MADISON INNOVATIONS, INC. (US) 2015-03-17 US disclosed
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
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE James Madison Innovations, Inc, (US) 2014-05-29 US disclosed
WO-2012054695-A1 NTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE JAMES MADISON INNOVATIONS, INC. (US) 2012-04-26 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 (3 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-20170135342-A1 NOVEL TRISCATIONIC AMPHIPHILE COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING SAME PHOSPHO1, ABHD16A, SMPD1 BCHE 1459/4885ACHE 2000/4885ALDH1A1 3358/4885
US-10905118-B2 Triscationic amphiphile compounds, compositions, and methods for making same PHOSPHO1, POLR1C, ABHD16A BCHE 1446/4885ACHE 2084/4885ALDH1A1 3071/4885
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE ANXA5, ANXA4, ANXA6 BCHE 1688/4885ACHE 3208/4885ALDH1A1 4690/4885

“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.