SCHEMBL19449784

SCHEMBL19449784

CC(=O)CC=CNC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL9658593 0.81 MTNR1A (0.33) MTNR1AMTNR1BKDM4E
SCHEMBL9658596 0.81 MTNR1A (0.33) MTNR1AMTNR1BKDM4E
SCHEMBL11092663 0.79 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL11095942 0.79 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL11092667 0.79 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL7191918 0.77
SCHEMBL16297599 0.77
SCHEMBL30881128 0.77
SCHEMBL11107958 0.75
SCHEMBL19435722 0.74 GAA (0.46) ALDH1A1TDP1KDM4E

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 1 patent. 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

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 MTNR1A 4001/4885MTNR1B 4306/4885ALDH1A1 1341/4885

“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.