SCHEMBL8214725

SCHEMBL8214725

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 4/20 0.55
TBXA2R P21731 3/20 0.55
ADRA1A P35348 3/20 0.55
SLC6A3 Q01959 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ADORA3 P0DMS8 3/20 0.55
ABCB11 O95342 3/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
TSHR P16473 2/20 0.55
ABCB1 P08183 2/20 0.55
ADRB3 P13945 2/20 0.55
OPRK1 P41145 2/20 0.55
SCN5A Q14524 2/20 0.55

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 0.92 KDM4E (0.68) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222583 0.89 KDM4E (0.52) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8225874 0.88 CACNA1F (0.51) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8225580 0.88 KDM4E (0.54) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222263 0.87 ABCC1 (0.53) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222259 0.87 MAPK1 (0.56) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222271 0.87 KDM4E (0.48) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222811 0.87 ALDH1A1 (0.50) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL3017208 0.85 CYP2C9 (0.73) KDM4ECYP2C9CYP3A4TBXA2RADRA1A
SCHEMBL8222275 0.84 ADORA3 (0.64) KDM4ECYP2C9CYP3A4CYP1A2CYP2C19

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 4840/4885CYP3A4 4253/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885CYP3A4 3885/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885CYP2C9 4440/4885CYP3A4 3885/4885

“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.