SCHEMBL8225874

SCHEMBL8225874

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.51
CACNA1D Q01668 2/20 0.51
CACNA1S Q13698 2/20 0.51
CACNA1C Q13936 2/20 0.51
KDM4E B2RXH2 9/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CYP2C9 P11712 5/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 4/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
MAPT P10636 2/20 0.48
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HSD17B10 Q99714 3/20 0.47

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
SCHEMBL8222581 0.89 KDM4E (0.48) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8222271 0.88 KDM4E (0.48) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8222811 0.88 ALDH1A1 (0.50) KDM4ENPSR1POLBGPR55CYP2C9
SCHEMBL8214725 0.88 KDM4E (0.55) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL2995373 0.86 ADORA3 (0.59) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8222275 0.85 ADORA3 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8218968 0.85 CACNA1B (0.35) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8222923 0.84 CACNA1C (0.58) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL8222269 0.84 GAA (0.47) CACNA1CKDM4ENPSR1POLBGPR55
SCHEMBL8222265 0.84 KDM4E (0.68) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 CACNA1F 83/4885CACNA1D 148/4885CACNA1S 109/4885

“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.