SCHEMBL23914063

SCHEMBL23914063

COc1ccc([C@H]2OC(=O)[C@@H](CN(C)C)[C@H]2c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
ACHE P22303 1/20 0.39
ADCY2 Q08462 1/20 0.38
CBS P35520 1/20 0.38
MAOB P27338 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CCR1 P32246 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL23914089 1.00 MAPT (0.39) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914440 0.95 MAPT (0.42) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914420 0.91 ALDH1A1 (0.41) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914069 0.91 ALDH1A1 (0.41) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914401 0.91 ALDH1A1 (0.35) MEN1KMT2AADCY2MAOBSLC6A4
SCHEMBL23914260 0.87 HDAC4 (0.39) MAPTMEN1KMT2AADCY2MAOB
SCHEMBL23913779 0.85 SLC6A4 (0.39) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914259 0.85 SLC6A4 (0.39) MAPTMEN1KMT2APOLBTHRB
SCHEMBL23914327 0.81 ALDH1A1 (0.40) ACHESLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL23914312 0.79 CTRB1 (0.35) MEN1KMT2ASLC6A4SLC6A3SLC6A2

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 MAPT 3922/4885MEN1 1587/4885KMT2A 2354/4885

“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.