SCHEMBL3392445

SCHEMBL3392445

CCOC(=O)C1CC(O)CN1C(=O)CNC(=O)CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
PREP P48147 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
FKBP1A P62942 1/20 0.40

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
SCHEMBL13403414 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13008155 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3392398 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13008122 0.89 MEN1 (0.48) ALDH1A1L3MBTL1POLBALOX5
SCHEMBL3390803 0.89 MEN1 (0.48) ALDH1A1L3MBTL1POLBALOX5
SCHEMBL13008125 0.81 PREP (0.52) ALDH1A1PREPFKBP1A
SCHEMBL3393053 0.81 PREP (0.52) ALDH1A1PREPFKBP1A
SCHEMBL8477557 0.74 POLB (0.62) ALDH1A1LMNAPREPL3MBTL1POLB
SCHEMBL8477697 0.74 POLB (0.62) ALDH1A1LMNAPREPL3MBTL1POLB
SCHEMBL7310404 0.74 POLB (0.62) ALDH1A1LMNAPREPL3MBTL1POLB

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-1737819-B1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS BV (NL) 2010-12-22 EP disclosed
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use DSM IP ASSETS B.V. (NL) 2010-04-22 US disclosed
US-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use DSM IP ASSETS B.V. (NL) 2008-09-25 US disclosed
EP-1737819-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSMIP Assets B.V. (NL) 2007-01-03 EP disclosed
WO-2005092850-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS B.V. (NL) 2005-10-06 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 (2 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-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use NGLY1, HRH4, C3AR1 HDAC3 3471/4885HDAC4 1757/4885HDAC1 3617/4885
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use NGLY1, HRH4, C3AR1 HDAC3 3471/4885HDAC4 1757/4885HDAC1 3617/4885

“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.