SCHEMBL3393053

SCHEMBL3393053

CCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.52
FKBP1A P62942 13/20 0.51
ALDH1A1 P00352 1/20 0.48
PRCP P42785 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13008125 1.00 PREP (0.52) PREPFKBP1AALDH1A1PRCPMEN1
SCHEMBL13008499 0.84 ACE (0.55) FKBP1A
SCHEMBL3393088 0.84 ACE (0.55) FKBP1A
SCHEMBL13403418 0.83 ACE (0.51) PREPFKBP1APRCPMEN1NPC1
SCHEMBL3392416 0.83 ACE (0.51) PREPFKBP1APRCPMEN1NPC1
SCHEMBL9814639 0.82 ACE (0.56) FKBP1AALDH1A1MEN1NPC1RAB9A
SCHEMBL3392445 0.81 HDAC3 (0.44) PREPFKBP1AALDH1A1
SCHEMBL13403414 0.81 HDAC3 (0.44) PREPFKBP1AALDH1A1
SCHEMBL26616519 0.81 PREP (0.60) PREPFKBP1AMEN1NPC1RAB9A
SCHEMBL26616511 0.81 PREP (0.60) PREPFKBP1AMEN1NPC1RAB9A

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 PREP 137/4885FKBP1A 2083/4885ALDH1A1 249/4885
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use NGLY1, HRH4, C3AR1 PREP 137/4885FKBP1A 2083/4885ALDH1A1 249/4885

“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.