SCHEMBL8225580

SCHEMBL8225580

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
CYP2C9 P11712 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 3/20 0.54
HSD17B10 Q99714 3/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
MAPT P10636 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MTOR P42345 2/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL8222265 0.88 KDM4E (0.68) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8214725 0.88 KDM4E (0.55) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3032511 0.84 KDM4E (0.67) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8222062 0.84 CACNA1F (0.54) CYP2C9CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL8222259 0.84 MAPK1 (0.56) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8221984 0.83 ABCC1 (0.71) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8222275 0.83 ADORA3 (0.64) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8222263 0.82 ABCC1 (0.53) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8215604 0.81 ABCC1 (0.54) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL8225874 0.80 CACNA1F (0.51) KDM4ECYP2C9CYP1A2CYP3A4CYP2C19

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
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 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 (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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 KDM4E 4629/4885CYP2C9 4840/4885CYP1A2 4108/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885CYP1A2 3330/4885

“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.