SCHEMBL2985228

SCHEMBL2985228

CC(=O)c1ccc(O)cc1O.[Cu]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
CYP3A4 P08684 2/20 0.62
MAPK1 P28482 1/20 0.62
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.61
CA14 Q9ULX7 4/20 0.61
TSHR P16473 1/20 0.61
HSP90AB1 P08238 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK4 Q16654 1/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GFER P55789 1/20 0.53
SERPINE1 P05121 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL29443438 0.98 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL29443437 0.98 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL26357 0.98 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL4708586 0.98 CES2 (0.67) CES2ALDH1A1HPGDCYP3A4MAPK1
Formaldehyde SCHEMBL27610922 0.93 CES2 (0.61) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL8170161 0.90 CES2 (0.57) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL9036271 0.85 THRB (0.64) CES2ALDH1A1HPGDCYP3A4MAPK1
Acetophenone SCHEMBL11254057 0.85 KMT2A (0.66) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL16520525 0.81 ALDH1A1 (0.55) CES2ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL14676003 0.80 CES2 (0.75) CES2ALDH1A1HPGDCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834210-B2 Hair loss prevention by natural amino acid and peptide complexes BIODERM RESEARCH (US) 2010-11-16 US disclosed
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090253668-A1 Hair Loss Prevention by Natural Amino Acid and Peptide Complexes BIODERM RESEARCH (US) 2009-10-08 US disclosed
US-7572933-B2 Skin and hair restoration by natural amino acid peptide complexes BIODERM RESEARCH (US) 2009-08-11 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US disclosed
US-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes BIODERM RESEARCH (US) 2008-11-20 US disclosed
US-7427690-B2 Multifunction “crown complexes” from amino acids and peptides for skin and hair restoration BIODERM RESEARCH (US) 2008-09-23 US disclosed
US-20070099886-A1 Multifunction \"Crown Complexes\" from Amino Acids and Peptides for Skin and Hair Restoration BIODERM RESEARCH (US) 2007-05-03 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 (3 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 CES2 1080/4885ALDH1A1 567/4885HPGD 1386/4885
US-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes MMP17, MC1R, TYR CES2 2279/4885ALDH1A1 3352/4885HPGD 1769/4885
US-20090253668-A1 Hair Loss Prevention by Natural Amino Acid and Peptide Complexes MMP1, MMP17, MMP13 CES2 2705/4885ALDH1A1 1360/4885HPGD 861/4885

“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.