SCHEMBL23914286

SCHEMBL23914286

CCN(CC)C[C@@H]1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.36
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G6 O60733 2/20 0.34
PLA2G4A P47712 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL23914287 0.87 SLC6A4 (0.51) SLC6A4POLB
SCHEMBL23913804 0.87 SLC6A4 (0.51) SLC6A4POLB
SCHEMBL23914311 0.86 CTRB1 (0.35) CTRB1SLC6A4MEN1KMT2APLA2G6
SCHEMBL23914312 0.86 CTRB1 (0.35) CTRB1SLC6A4MEN1KMT2APLA2G6
SCHEMBL23913813 0.83 SLC6A4 (0.53) SLC6A4ALDH1A1ALOX12
SCHEMBL23914260 0.79 HDAC4 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL23914069 0.76 ALDH1A1 (0.41) SLC6A4ALDH1A1MEN1KMT2APOLB
SCHEMBL23914420 0.76 ALDH1A1 (0.41) SLC6A4ALDH1A1MEN1KMT2APOLB
SCHEMBL23914073 0.76 CTRB1 (0.37) CTRB1ALDH1A1MEN1KMT2APLA2G6
SCHEMBL23914401 0.74 ALDH1A1 (0.35) SLC6A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM CTRB1 4601/4885SLC6A4 4444/4885ALDH1A1 2164/4885

“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.