SCHEMBL7157167

SCHEMBL7157167

C=CCOC(=O)C(=CO)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 6/20 0.32
LMNA P02545 2/20 0.32
PTP4A3 O75365 1/20 0.32
PTP4A2 Q12974 1/20 0.32
PTP4A1 Q93096 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 3/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.30

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
SCHEMBL7157164 1.00 MAPT (0.38) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL3962674 0.79 MAPT (0.42) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL175302 0.75 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL177943 0.75 CYP3A4 (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL9521695 0.73 HCAR2 (0.39) TSHRTDP1ALDH1A1LMNAMAPK1
SCHEMBL9521700 0.73 HCAR2 (0.39) TSHRTDP1ALDH1A1LMNAMAPK1
SCHEMBL15137029 0.73 MAPT (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL288622 0.73 ALDH1A1 (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL7512684 0.73 CYP3A4 (0.46) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL6168638 0.73

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-6620932-B2 2-alkoxy group may be introduced into the appropriate pyrimidine derivatives at the start of the reaction DEGUSSA AG (DE) 2003-09-16 US claimed
US-20030022908-A1 2-alkoxy-5-methoxypyrimidines or their tautomeric forms and methods for producing the same DEGUSSA AG (DE) 2003-01-30 US claimed

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-20030022908-A1 2-alkoxy-5-methoxypyrimidines or their tautomeric forms and methods for producing the same DPYD, TYMP, UMPS MAPT 59/4885TSHR 4534/4885CACNA1B 4742/4885

“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.