SCHEMBL4895968

SCHEMBL4895968

CC(=O)c1ccc2ncsc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
CDK1 P06493 8/20 0.36
CDK2 P24941 8/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CCNA2 P20248 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 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
SCHEMBL25804847 0.81 NPC1 (0.37) NPC1RAB9ATDP1L3MBTL1KDM4E
SCHEMBL30521643 0.81 NPC1 (0.37) NPC1RAB9ATDP1L3MBTL1KDM4E
SCHEMBL13860748 0.77 PRMT5 (0.43) NPC1RAB9ATDP1L3MBTL1KDM4E
SCHEMBL13229696 0.75 MEN1 (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23858346 0.72 KDM4E (0.44) NPC1RAB9ATDP1L3MBTL1KDM4E
SCHEMBL12033574 0.72 ALDH1A1 (0.38) TDP1L3MBTL1KDM4EALDH1A1CYP2C9
SCHEMBL10117806 0.70 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2722669 0.70 ALDH1A1 (0.46) NPC1RAB9ATDP1L3MBTL1KDM4E
SCHEMBL23858518 0.69 KDM4E (0.38) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL15782880 0.68 PRKCI (0.33) NPC1RAB9ATDP1L3MBTL1KDM4E

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 NPC1 2890/4885RAB9A 3679/4885TDP1 2329/4885
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA NPC1 3687/4885RAB9A 2999/4885TDP1 3295/4885
US-20080255228-A1 Ascorbic Acid Complexes for Skin Care Including Treatment of Dark Skin & Wrinkles PROC, COL1A1, CUTA NPC1 2984/4885RAB9A 2403/4885TDP1 2345/4885

“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.