SCHEMBL5042354

SCHEMBL5042354

COC(C(=O)NCc1ccc(C#N)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
MAOB P27338 1/20 0.53
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL5042355 1.00 PKM (0.58) PKMMAOBSLC1A3SLC1A2KMT2A
SCHEMBL5043284 0.90 PKM (0.54) PKMMAOBSLC1A3SLC1A2KMT2A
SCHEMBL5043288 0.90 PKM (0.54) PKMMAOBSLC1A3SLC1A2KMT2A
SCHEMBL5037923 0.89 PKM (0.60) PKMSLC1A3SLC1A2KMT2A
SCHEMBL5037927 0.89 PKM (0.60) PKMSLC1A3SLC1A2KMT2A
SCHEMBL5040509 0.89 PKM (0.72) PKMSLC1A3SLC1A2KMT2A
SCHEMBL5040508 0.89 PKM (0.72) PKMSLC1A3SLC1A2KMT2A
SCHEMBL5041218 0.89 PKM (0.72) PKMSLC1A3SLC1A2KMT2A
SCHEMBL5047139 0.87 PKM (0.62) PKMSLC1A3SLC1A2KMT2ARAB9A
SCHEMBL5047137 0.87 PKM (0.62) PKMSLC1A3SLC1A2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 PKM 4225/4885MAOB 553/4885SLC1A3 2652/4885

“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.