SCHEMBL16352109

SCHEMBL16352109

COc1ccc(CCON(CCC[PH](=O)O)C(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
F2RL1 P55085 1/20 0.40
AOC3 Q16853 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CALM1 P0DP23 1/20 0.38

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
SCHEMBL16352112 0.94 ALOX5 (0.44) ALOX5POLBSMN1; SMN2F2RL1AOC3
SCHEMBL16352148 0.88 LTB4R (0.38) ALDH1A1
SCHEMBL16352146 0.88 MET (0.37) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL16352140 0.86 HCAR2 (0.38) ALOX5ALDH1A1
SCHEMBL16363709 0.81 ALOX5 (0.42) ALOX5POLBSMN1; SMN2NPC1MAPT
SCHEMBL16352101 0.81 ALOX5 (0.42) ALOX5POLBSMN1; SMN2NPC1MAPT
SCHEMBL16352141 0.80 LMNA (0.41) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16352110 0.79 FFAR1 (0.39) ALOX5MAPT
SCHEMBL16352152 0.78 MTNR1B (0.34) POLB
SCHEMBL9054554 0.77 F2RL1 (0.53) ALOX5POLBSMN1; SMN2F2RL1AOC3

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 ALOX5 1559/4885POLB 1452/4885SMN1; SMN2 4873/4885

“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.