SCHEMBL5365566

SCHEMBL5365566

CCOC(=O)CCC(=O)C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.45
TRPA1 O75762 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL5365497 0.88 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5348193 0.88 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL28853161 0.83 GAA (0.63) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14232717 0.80 GAA (0.61) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9836707 0.78 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL4324913 0.78 GAA (0.63) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL29494609 0.78 GAA (0.63) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL21815758 0.78 GAA (0.63) CYP1A2GAAMGAMSIMGAM2

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-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex EIGENBRODT ERICH 2007-10-11 US disclosed
US-7223784-B2 Compounds for the modulation of the glycolysis enzyme and/or transaminase complex ScheBo® Biotech AG (DE) 2007-05-29 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-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex PC, GOT1, PCK1 CYP1A2 508/4885GAA 37/4885MGAM 68/4885

“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.