SCHEMBL8215604

SCHEMBL8215604

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.54
KDM4E B2RXH2 7/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 4/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL8222062 0.89 CACNA1F (0.54) ABCC1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8221984 0.89 ABCC1 (0.71) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL3022545 0.84 ABCC1 (0.74) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8222275 0.84 ADORA3 (0.64) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8222263 0.83 ABCC1 (0.53) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8222259 0.83 MAPK1 (0.56) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8215039 0.82 KDM4E (0.55) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8222599 0.82 KDM4E (0.55) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8214827 0.81 ABCC9 (0.57) ABCC1KDM4EGAAMAPTCYP1A2
SCHEMBL8225580 0.81 KDM4E (0.54) ABCC1KDM4EGAAMAPTCYP1A2

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-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-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 ABCC1 757/4885KDM4E 4629/4885GAA 489/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885GAA 814/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC1 401/4885KDM4E 4759/4885GAA 814/4885

“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.