SCHEMBL6467540

SCHEMBL6467540

C=CCC(CCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.48
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
LTA4H P09960 1/20 0.44
CPA1 P15085 1/20 0.44
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 1/20 0.41
TBXAS1 P24557 2/20 0.39
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL570260 0.81 CA2 (0.61) GRIK1GRIK2CPA1TBXAS1CA2
SCHEMBL2081268 0.81 CA2 (0.61) GRIK1GRIK2CPA1TBXAS1CA2
SCHEMBL9237929 0.79 CA2 (0.53) GRIK1GRIK2CPA1CA2MAPK1
SCHEMBL584897 0.79 CA2 (0.53) GRIK1GRIK2CPA1CA2MAPK1
SCHEMBL8572261 0.79 CA2 (0.59) GRIK1GRIK2CPA1TBXAS1CA2
SCHEMBL8567555 0.79 CA2 (0.59) GRIK1GRIK2CPA1TBXAS1CA2
SCHEMBL9239263 0.79 CA2 (0.53) GRIK1GRIK2CPA1CA2MAPK1
SCHEMBL2135519 0.79 GRIK1 (0.50) GRIK1GRIK2CPA1TBXAS1CA2
SCHEMBL5849604 0.79 GRIK1 (0.50) BLMGRIK1GRIK2CPA1TBXAS1
SCHEMBL4940873 0.78 GRIK1 (0.54) GRIK1GRIK2CPA1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009912-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2005-01-13 US disclosed
EP-1463713-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-10-06 EP disclosed
EP-1458671-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
EP-1423411-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-06-02 EP disclosed
WO-2003057661-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-07-17 WO disclosed
WO-2003045898-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-06-05 WO disclosed
WO-2003006489-A2 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-01-23 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-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 BLM 4852/4885GRIK1 17/4885GRIK2 24/4885

“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.