SCHEMBL3390803

SCHEMBL3390803

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 3/20 0.43
FAAH O00519 3/20 0.43
POLB P06746 1/20 0.42
AR P10275 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB1 Q02641 1/20 0.41

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
SCHEMBL13008122 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL3392398 0.90 HDAC3 (0.48) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL13008155 0.90 HDAC3 (0.48) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL13403414 0.89 HDAC3 (0.44) ALDH1A1ALOX5L3MBTL1POLB
SCHEMBL3392445 0.89 HDAC3 (0.44) ALDH1A1ALOX5L3MBTL1POLB
SCHEMBL10593684 0.84 ACE (0.56) MEN1NPC1RAB9AKMT2AACE
SCHEMBL10593686 0.84 ACE (0.56) MEN1NPC1RAB9AKMT2AACE
SCHEMBL10594594 0.84 ACE (0.56) MEN1NPC1RAB9AKMT2AACE
SCHEMBL8477698 0.80 POLB (0.62) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL8477697 0.80 POLB (0.62) NPC1RAB9AALDH1A1L3MBTL1POLB

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 MEN1 993/4885NPC1 1700/4885RAB9A 3397/4885
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use NGLY1, HRH4, C3AR1 MEN1 993/4885NPC1 1700/4885RAB9A 3397/4885

“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.