SCHEMBL4664072

SCHEMBL4664072

CCOC(=O)C=C1Nc2ccccc2S1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
HSD17B10 Q99714 4/20 0.70
MAPK1 P28482 3/20 0.70
CASP1 P29466 1/20 0.70
GAA P10253 6/20 0.57
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALOX15 P16050 3/20 0.50
NOX1 Q9Y5S8 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.48
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.43
BCHE P06276 2/20 0.42
SNCA P37840 2/20 0.41
ALOX12 P18054 2/20 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
SCHEMBL4664068 1.00 KDM4E (0.70) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL1001101 0.82 KDM4E (0.55) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL4086624 0.82 KDM4E (0.55) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL1001099 0.82 KDM4E (0.55) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL14403543 0.81 KDM4E (0.49) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL14403541 0.79 NOX1 (0.50) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL14079742 0.79 NOX1 (0.50) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL12809928 0.78 MAPT (0.52) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL4665559 0.77 MAPT (0.49) KDM4EHSD17B10MAPK1CASP1GAA
SCHEMBL4663453 0.77 MAPT (0.49) KDM4EHSD17B10MAPK1CASP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
EP-1743333-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-01-17 EP disclosed
WO-2005106868-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 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 (1 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-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity TMCO1, KCNN3, CACNA1F KDM4E 1375/4885HSD17B10 4629/4885MAPK1 3735/4885

“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.