SCHEMBL16352111

SCHEMBL16352111

CC(=O)N(CCC[PH](=O)O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 1/20 0.36

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
SCHEMBL16352145 0.92 L3MBTL1 (0.40) L3MBTL1ALOX5PTGS1PTGS2
SCHEMBL16352147 0.89 NR4A2 (0.40) L3MBTL1PTGS2
SCHEMBL16352154 0.88 MAOB (0.38) L3MBTL1ALDH1A1MAOB
SCHEMBL16352140 0.86 HCAR2 (0.38) L3MBTL1ALDH1A1ALOX5
SCHEMBL16352155 0.86 MAOB (0.39) L3MBTL1ALDH1A1MAOB
SCHEMBL16352141 0.85 LMNA (0.41) ALDH1A1ALOX5
SCHEMBL16352144 0.85 SIGMAR1 (0.38) MAOB
SCHEMBL16352153 0.85 MAOB (0.43) MAOB
SCHEMBL16352110 0.84 FFAR1 (0.39) L3MBTL1ALOX5
SCHEMBL16352143 0.84 RXRA (0.39) L3MBTL1ALDH1A1

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 3192/4885ALDH1A1 589/4885ALOX5 1559/4885

“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.