SCHEMBL8214827

SCHEMBL8214827

CCOC(=O)C1=C(C)NC(C)=C(C2OC(C)O2)C1c1ccc(F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.57
ABCC8 Q09428 2/20 0.57
KCNJ11 Q14654 2/20 0.57
KCNJ8 Q15842 2/20 0.57
ABCC1 P33527 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CACNA1F O60840 4/20 0.46
CACNA1D Q01668 4/20 0.46
CACNA1S Q13698 4/20 0.46
CACNA1C Q13936 4/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3022755 0.86 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL8215039 0.85 KDM4E (0.55) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8222599 0.85 KDM4E (0.55) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8215677 0.84 KDM4E (0.46) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL8216801 0.84 CACNA1F (0.52) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8214829 0.84 CACNA1B (0.52) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8221984 0.83 ABCC1 (0.71) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8224290 0.82 KDM4E (0.46) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8222062 0.82 CACNA1F (0.54) ABCC1TSHRPOLBGPR55CACNA1F
SCHEMBL8215604 0.81 ABCC1 (0.54) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2

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 3 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-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 (2 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 ABCC9 1115/4885ABCC8 1270/4885KCNJ11 3332/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885

“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.