SCHEMBL6544313

SCHEMBL6544313

CCOC(=O)CC1(C=NO)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GAA P10253 3/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TRPA1 O75762 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
TSHR P16473 1/20 0.30
KCNH2 Q12809 1/20 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
SCHEMBL6545242 0.81 KDM4E (0.41) KDM4EGAAMGAMSIMGAM2
SCHEMBL6545008 0.81 ALDH1A1 (0.36) GAAALDH1A1TSHR
SCHEMBL9796453 0.80 KDM4E (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL31088807 0.80 GAA (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL6366401 0.75 CYP2C19 (0.45) USP2ALDH1A1TSHR
SCHEMBL6366405 0.75 CYP2C19 (0.45) USP2ALDH1A1TSHR
SCHEMBL4577419 0.73 GAA (0.44) KDM4EGAAMGAMSIMGAM2
SCHEMBL28630400 0.73 GAA (0.44) KDM4EGAAMGAMSIMGAM2
SCHEMBL867537 0.72 CYP2C19 (0.53) KDM4EGAAMGAMSIMGAM2
SCHEMBL8266120 0.72 KMT2A (0.44) KDM4EGAAMGAMSIMGAM2

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-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US disclosed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 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-20040063994-A1 Process for the preparation of cyclic amino acids SLC7A1, MRPL21, BCAT1 KDM4E 3993/4885GAA 2650/4885MGAM 782/4885

“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.