SCHEMBL4904429

SCHEMBL4904429

CC(=O)c1c(O)ccc2c1Nc1ccccc1S2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.56
GAA P10253 6/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALOX15 P16050 3/20 0.56
SNCA P37840 2/20 0.56
CYBB P04839 1/20 0.56
APP P05067 1/20 0.56
NOX3 Q9HBY0 1/20 0.56
NOX4 Q9NPH5 1/20 0.56
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX12 P18054 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL27885268 0.83 NOX1 (0.51) NOX1GAAMAPTMEN1KMT2A
SCHEMBL28219839 0.80 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
SCHEMBL4697705 0.79 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1719765 0.78 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31657639 0.78 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1856711 0.77 NOX1 (0.47) NOX1GAAMAPTMEN1KMT2A
SCHEMBL344333 0.75 NOX1 (0.59) NOX1GAAMAPTMEN1KMT2A
Acetic Acid SCHEMBL27908975 0.75 NOX1 (0.51) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1509895 0.75 NOX1 (0.46) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL28750254 0.75 NOX1 (0.71) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US claimed
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 US claimed
US-8227426-B2 Chiral complexes of ascorbic acid with natural antioxidant and anti-inflammatory ketones including aloe, citrus, ginger, and mango for skin and hair care ISLAND KINETICS INC. (US) 2012-07-24 US disclosed
US-20110059907-A1 Chiral Complexes of Ascorbic Acid with Natural Antioxidant and Anti-Inflammatory Ketones Including Aloe, Citrus, Ginger, and Mango for Skin and Hair Care ISLAND KINETICS INC. (US) 2011-03-10 US disclosed
US-20080255228-A1 Ascorbic Acid Complexes for Skin Care Including Treatment of Dark Skin & Wrinkles BIODERM RESEARCH (US) 2008-10-16 US disclosed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US disclosed
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 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-20110059907-A1 Chiral Complexes of Ascorbic Acid with Natural Antioxidant and Anti-Inflammatory Ketones Including Aloe, Citrus, Ginger, and Mango for Skin and Hair Care GLA, LPO, PLOD3 NOX1 902/4885GAA 123/4885MAPT 2800/4885
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA NOX1 1526/4885GAA 130/4885MAPT 1630/4885
US-20080255228-A1 Ascorbic Acid Complexes for Skin Care Including Treatment of Dark Skin & Wrinkles PROC, COL1A1, CUTA NOX1 359/4885GAA 365/4885MAPT 1443/4885

“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.