SCHEMBL6703733

SCHEMBL6703733

C=CCOC(=O)C1NCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11247696 0.75 TSHR (0.40) TSHRMAPTALDH1A1GAA
SCHEMBL5494369 0.74 ARG1 (0.31)
SCHEMBL13278810 0.72 ALDH1A1 (0.36) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL27814476 0.72 ALDH1A1 (0.36) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL1580236 0.71
SCHEMBL11198413 0.71
SCHEMBL20253786 0.69 CYP3A4 (0.36) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL7712121 0.68 MAPT (0.34) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL351761 0.68 DPP4 (0.36) TSHRALDH1A1GAAPOLBCYP3A4
SCHEMBL17361179 0.68 ALDH1A1 (0.40) TSHRMAPTALDH1A1GAAPOLB

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-20040248963-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-12-09 US disclosed
JP-2004307446-A NEW IONIC LIQUID TOKYO KASEI KOGYO KK 2004-11-04 JP disclosed
EP-1463713-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-10-06 EP disclosed
WO-2003045898-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-06-05 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-20040248963-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 TSHR 1034/4885MAPT 777/4885CACNA1B 353/4885

“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.