SCHEMBL23914285

SCHEMBL23914285

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HHAT Q5VTY9 1/20 0.32
F2 P00734 2/20 0.31
ELANE P08246 2/20 0.31
CTSG P08311 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTRB1 P17538 1/20 0.31
MAPT P10636 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL23914073 0.72 CTRB1 (0.37) KDM4EALDH1A1RAB9AF2KMT2A
SCHEMBL13095128 0.71 HDAC4 (0.34) KDM4EALDH1A1HTTRAB9AGAA
SCHEMBL23914311 0.70 CTRB1 (0.35) RAB9AKMT2ACTRB1
SCHEMBL23914312 0.70 CTRB1 (0.35) RAB9AKMT2ACTRB1
SCHEMBL10527275 0.67 RAB9A (0.44) KDM4EALDH1A1RAB9AGAAKMT2A
SCHEMBL23914286 0.67 CTRB1 (0.36) ALDH1A1KMT2ACTRB1
SCHEMBL23914260 0.65 HDAC4 (0.39) ALDH1A1GAAKMT2AMAPT
SCHEMBL23914326 0.65 MEN1 (0.45) ALDH1A1KMT2AMAPT
SCHEMBL23914420 0.62 ALDH1A1 (0.41) ALDH1A1HTTRAB9AKMT2AMAPT
SCHEMBL23914069 0.62 ALDH1A1 (0.41) ALDH1A1HTTRAB9AKMT2AMAPT

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 ADRB2 3745/4885ADRB1 2753/4885KDM4E 2541/4885

“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.