SCHEMBL13971352

SCHEMBL13971352

CCCCOc1cc(OC)ccc1/C=N/c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MAOB P27338 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ AHR P35869 1/20 0.38

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
SCHEMBL13971251 0.93 ALDH1A1 (0.47) ALDH1A1GAAMAPTMAOBKDM4E
SCHEMBL13971076 0.86 GAA (0.46) ALDH1A1GAAMAPTMAOBKDM4E
SCHEMBL14206850 0.85 GAA (0.52) ALDH1A1GAAMAPTMAOBKDM4E
SCHEMBL13786603 0.84 MAOB (0.53) ALDH1A1GAAMAPTMAOBMEN1
SCHEMBL13956194 0.83 MAOB (0.65) MAPTMAOBKDM4EMEN1KMT2A
SCHEMBL14206353 0.80 GAA (0.46) ALDH1A1GAAMAPTMAOBKDM4E
SCHEMBL13956195 0.78 MAOB (0.64) ALDH1A1GAAMAPTMAOBKDM4E
SCHEMBL3084005 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL12416685 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3085595 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EMEN1

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-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — 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-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 ALDH1A1 366/4885GAA 15/4885MAPT 1936/4885

“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.

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