SCHEMBL23913786

SCHEMBL23913786

C=C1C(=O)O[C@H](c2ccccc2OC)[C@@H]1c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP19A1 P11511 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
HSD11B1 P28845 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
RECQL P46063 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
SCHEMBL23914374 0.81 EDNRA (0.42) MEN1KMT2AALDH1A1KDM4ECYP19A1
SCHEMBL23914438 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ECYP19A1
SCHEMBL23914347 0.78 HDAC4 (0.38) ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL23914355 0.76 P2RX3 (0.42) MEN1KMT2AUSP2L3MBTL1LMNA
SCHEMBL23913942 0.76 ALDH1A1 (0.38) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL23914370 0.75 APP (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL23914339 0.73 STK10 (0.38) MEN1KMT2AALDH1A1KDM4ECYP19A1
SCHEMBL23914064 0.68 TNKS (0.34) ALDH1A1KDM4ECYP19A1
SCHEMBL30528425 0.66 CTRC (0.36)
SCHEMBL31483441 0.65 ALDH1A1 (0.51) MEN1KMT2AUSP2ALDH1A1KDM4E

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 MEN1 1587/4885KMT2A 2354/4885USP2 3187/4885

“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.