SCHEMBL16352140

SCHEMBL16352140

CC(=O)N(CCC[PH](=O)O)OCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
ALOX5 P09917 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
SCHEMBL16352141 0.94 LMNA (0.41) ALDH1A1LMNAKDM4EAKR1B10AKR1B1
SCHEMBL16352110 0.92 FFAR1 (0.39) LMNAL3MBTL1ALOX5
SCHEMBL16352146 0.88 MET (0.37) ALDH1A1LMNAKDM4EAKR1B10AKR1B1
SCHEMBL16352148 0.88 LTB4R (0.38) ALDH1A1LTB4RLTB4R2LMNAKDM4E
SCHEMBL16352111 0.86 L3MBTL1 (0.45) ALDH1A1L3MBTL1ALOX5
SCHEMBL16352109 0.86 ALOX5 (0.42) ALDH1A1ALOX5
SCHEMBL16352145 0.80 L3MBTL1 (0.40) LMNAL3MBTL1GAAALOX5
SCHEMBL16352147 0.79 NR4A2 (0.40) L3MBTL1AKR1B1
SCHEMBL16363706 0.79 S1PR2 (0.44) LMNAKDM4E
SCHEMBL16352096 0.79 FDPS (0.40) HCAR2ALDH1A1LMNAKDM4E

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 HCAR2 2800/4885ALDH1A1 589/4885LTB4R 2235/4885

“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.