SCHEMBL16352145

SCHEMBL16352145

CC(=O)N(CCC[PH](=O)O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
FFAR1 O14842 1/20 0.36
PTGS1 P23219 2/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36
S1PR1 P21453 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35

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 0.92 L3MBTL1 (0.45) L3MBTL1PTGS1ALOX5PTGS2
SCHEMBL16352147 0.89 NR4A2 (0.40) L3MBTL1FFAR1AGXTPTGS2
SCHEMBL16352154 0.86 MAOB (0.38) L3MBTL1AGXTNPC1RAB9A
SCHEMBL16352155 0.85 MAOB (0.39) L3MBTL1FFAR1LMNAHTT
SCHEMBL16352149 0.83 FFAR4 (0.37) L3MBTL1FFAR1
SCHEMBL16352144 0.83 SIGMAR1 (0.38) RAB9A
SCHEMBL16352143 0.82 RXRA (0.39) L3MBTL1LMNAIDO1NPC1RAB9A
SCHEMBL16352120 0.80 L3MBTL1 (0.40) L3MBTL1
SCHEMBL16364163 0.80 S1PR3 (0.40) L3MBTL1
SCHEMBL16352151 0.80 EPHX1 (0.40) L3MBTL1

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 L3MBTL1 3192/4885FFAR1 1498/4885PTGS1 1812/4885

“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.