SCHEMBL19435722

SCHEMBL19435722

CCOC(=O)C/C=C/NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 5/20 0.39
TRPA1 O75762 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
GLO1 Q04760 1/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 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
SCHEMBL19435708 1.00 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8837203 1.00 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6942345 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6647774 0.79 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6708068 0.79 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19449784 0.74 MTNR1A (0.35) ALDH1A1KDM4ETDP1
SCHEMBL10689168 0.74 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL148959 0.73 NR1I2 (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1203424 0.73
SCHEMBL5408000 0.73

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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 GAA 1856/4885MGAM 499/4885SI 966/4885

“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.