SCHEMBL16352156

SCHEMBL16352156

CC(=O)N(CCC[PH](=O)O)OCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.39
PARP10 Q53GL7 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CDYL Q9Y232 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PARP15 Q460N3 1/20 0.35
CYP1A2 P05177 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
SCHEMBL16352134 0.81 KMT2A (0.41) MEN1KMT2AATMPARP10TDP1
SCHEMBL16363234 0.81 ACP3 (0.46) MEN1KMT2AATMPARP10TDP1
SCHEMBL16352149 0.81 FFAR4 (0.37) KMT2AFFAR1L3MBTL1KDM4E
SCHEMBL16352144 0.79 SIGMAR1 (0.38) ATMSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL16363229 0.77 KMT2A (0.38) MEN1KMT2AATMPARP10CDYL
SCHEMBL16352147 0.75 NR4A2 (0.40) FFAR1AKR1B1L3MBTL1
SCHEMBL16352153 0.74 MAOB (0.43) PARP10FFAR1PARP15
SCHEMBL16352154 0.74 MAOB (0.38) ATMPARP10L3MBTL1CYP1A2CYP2C19
SCHEMBL16352140 0.73 HCAR2 (0.38) TDP1AKR1B1L3MBTL1KDM4E
SCHEMBL16352155 0.73 MAOB (0.39) MEN1KMT2AATMFFAR1L3MBTL1

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 MEN1 4748/4885KMT2A 4441/4885ATM 1789/4885

“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.