SCHEMBL10046784

SCHEMBL10046784

CC1=CC(=Nc2ccc(O)cc2)C(N)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 2/20 0.36
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA7 P43166 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ BLM P54132 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PLEC Q15149 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PLK1 P53350 2/20 0.32
▸ PLK2 Q9NYY3 2/20 0.32

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
SCHEMBL24443643 0.87 PABPC1 (0.37) PABPC1NOS3NOS2CA12CA2
SCHEMBL24514478 0.87 PABPC1 (0.37) PABPC1NOS3NOS2CA12CA2
SCHEMBL11787610 0.85 PABPC1 (0.41) PABPC1NOS3NOS2CA12CA2
SCHEMBL13525216 0.81 CA12 (0.40) PABPC1CA12CA2CA9CA1
SCHEMBL11794810 0.81 NOS3 (0.34) NOS3NOS2CA12CA2CA9
SCHEMBL11410974 0.81 PABPC1 (0.39) PABPC1NOS3NOS2CA12CA2
SCHEMBL24213340 0.80 LMNA (0.34) MAPTKDM4ETHRBLMNAMEN1
SCHEMBL12428488 0.77 CA2 (0.38) PABPC1NOS3NOS2CA12CA2
SCHEMBL15039506 0.76 DNM1 (0.58) CA12CA2CA9CA7MAPT
SCHEMBL10046649 0.76 DNM1 (0.58) CA12CA2CA9CA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 — — US disclosed
US-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 — — US disclosed
WO-2012084817-A2 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2012-06-28 — — 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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE ADH1C, ADH1A, ADH5 PABPC1 2864/4885NOS3 1341/4885NOS2 870/4885

“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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