SCHEMBL12173641

SCHEMBL12173641

CCCCCCN1/C(=C\c2c(O)c(=O)c2=O)C(C)(C)c2cc(-c3cccs3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
CNR1 P21554 1/20 0.35
APLNR P35414 1/20 0.33
HDAC1 Q13547 6/20 0.32
HDAC2 Q92769 6/20 0.32
HDAC3 O15379 4/20 0.32
ERN1 O75460 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12173644 0.87 CNR2 (0.34) CNR2CNR1HDAC1HDAC2HDAC3
SCHEMBL12156974 0.87 TP53 (0.31) ALDH1A1MAPTSCN9AMEN1GLA
SCHEMBL12156980 0.87 TP53 (0.31) ALDH1A1MAPTSCN9AMEN1GLA
SCHEMBL15947445 0.86 SCN9A (0.31) CNR2ERN1SCN9A
SCHEMBL19188640 0.86 SCN9A (0.31) CNR2ERN1SCN9A
SCHEMBL12156981 0.84 SCN9A (0.30) SCN9A
SCHEMBL12156971 0.84 SCN9A (0.30) SCN9A
SCHEMBL19189555 0.82 CNR2 (0.33) CNR2CNR1
SCHEMBL21314807 0.81 ALDH1A1 (0.43) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL21314809 0.81 ALDH1A1 (0.43) KDM4EALDH1A1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362884-B1 A DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORP (JP) 2017-08-02 EP disclosed
US-9679702-B2 Dye comprising a chromophore to which an acyloin group is attached SONY CORPORATION (JP) 2017-06-13 US disclosed
US-20140224330-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORPORATION (JP) 2014-08-14 US disclosed
US-20110265878-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORPORATION (JP) 2011-11-03 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 (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-20110265878-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED ACOT7, ABHD5, MBOAT4 CNR2 3456/4885CNR1 3579/4885APLNR 312/4885

“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.