SCHEMBL16352152

SCHEMBL16352152

COc1cc(CON(CCC[PH](=O)O)C(C)=O)cc(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.32
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL16352111 0.80 L3MBTL1 (0.45) L3MBTL1PTGS2
SCHEMBL16364157 0.80 MTNR1B (0.34) MTNR1BL3MBTL1
SCHEMBL16352129 0.80 MTNR1B (0.34) MTNR1BL3MBTL1FFAR4KMT2APOLB
SCHEMBL16352144 0.79 SIGMAR1 (0.38) TACR1
SCHEMBL16352154 0.79 MAOB (0.38) L3MBTL1
SCHEMBL16352150 0.79 ATM (0.44) KMT2AMEN1
SCHEMBL16352155 0.78 MAOB (0.39) L3MBTL1FFAR4KMT2AMEN1
SCHEMBL16352109 0.78 ALOX5 (0.42) POLB
SCHEMBL16352159 0.77 MRGPRX4 (0.39) FFAR4
SCHEMBL16352153 0.77 MAOB (0.43) FFAR4

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-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR MTNR1B 2330/4885L3MBTL1 3192/4885FFAR4 2772/4885

“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.