SCHEMBL4482909

SCHEMBL4482909

O=CN(c1cc[c]cc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.34
CPA3 P15088 1/20 0.33
TET2 Q6N021 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
TET3 O43151 1/20 0.31
FOLH1 Q04609 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 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
SCHEMBL4485948 0.82 GSR (0.36) EPORGSR
SCHEMBL4566397 0.79
SCHEMBL2230081 0.75 TBXAS1 (0.42)
SCHEMBL17981371 0.74 MMP2 (0.38) FOLH1KDM4EGRIK1GRIK2
SCHEMBL4483601 0.72 APP (0.33)
SCHEMBL28184620 0.71 NPSR1 (0.33) ALDH1A1CYP2D6TP53GLAPOLB
SCHEMBL4473097 0.70 HDAC2 (0.34) ALDH1A1CYP2D6TP53NFKB1TSHR
SCHEMBL16447465 0.69 FOLH1 (0.39) FOLH1ALDH1A1POLBTSHRSLC1A1
SCHEMBL31259077 0.68 EPOR (0.40) EPORGSR
SCHEMBL17981438 0.66 CHRNB2 (0.38) CYP2D6GRIK1GRIK2

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-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 EPOR 2575/4885CPA3 3585/4885TET2 3566/4885

“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.