SCHEMBL23914100

SCHEMBL23914100

C=C1C(=O)O[C@H](c2ccccc2)[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.43
SLC6A4 P31645 9/20 0.43
SLC6A3 Q01959 9/20 0.43
CYP2D6 P10635 7/20 0.43
KCNH2 Q12809 4/20 0.43
CYP3A4 P08684 2/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PLAU P00749 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSK3B P49841 1/20 0.34
ADK P55263 1/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 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
SCHEMBL23914398 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23914288 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23914304 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL30528429 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23913939 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23914072 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23914306 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23914308 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL30528444 0.84 CYP2A6 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL23913984 0.83 SMN1; SMN2 (0.39) SLC6A3CYP3A4KDM4EALDH1A1LMNA

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 SLC6A2 4850/4885SLC6A4 4444/4885SLC6A3 4632/4885

“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.