SCHEMBL3753802

SCHEMBL3753802

O=C(O)CN=CCc1c(O)cccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 3/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL3736826 0.79 AKR1B1 (0.52) AKR1B1CA2CA12AKR1C2AKR1C1
SCHEMBL9900768 0.72 CA2 (0.36) CA2CA12CA1CA7CA9
SCHEMBL3749771 0.70 CA12 (0.32) AKR1B1CA2CA12CA1CA7
SCHEMBL3736876 0.70 EGFR (0.43) AKR1B1CA2CA12CA1CA7
SCHEMBL3734233 0.70 TYR (0.43) CA2CA12CA1CA7CA9
SCHEMBL3749332 0.70 TYR (0.43) CA2CA12CA1CA7CA9
SCHEMBL3746796 0.70 TYR (0.43) CA2CA12CA1CA7CA9
SCHEMBL3391391 0.69 CA2 (0.63) CA2CA12CA1CA9KDM4E
SCHEMBL12892300 0.69 CA2 (0.63) CA2CA12CA1CA9KDM4E
SCHEMBL3391389 0.69 CA2 (0.63) CA2CA12CA1CA9KDM4E

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
US-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes BIODERM RESEARCH (US) 2008-11-20 US claimed
US-7834210-B2 Hair loss prevention by natural amino acid and peptide complexes BIODERM RESEARCH (US) 2010-11-16 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-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes BIODERM RESEARCH (US) 2008-11-20 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 (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-20080287536-A1 Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes MMP17, MC1R, TYR AKR1B1 1846/4885CA2 470/4885CA12 1928/4885
US-20090253668-A1 Hair Loss Prevention by Natural Amino Acid and Peptide Complexes MMP1, MMP17, MMP13 AKR1B1 1901/4885CA2 2859/4885CA12 2559/4885

“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.