SCHEMBL16352148

SCHEMBL16352148

CC(=O)N(CCC[PH](=O)O)OCCc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KCNH2 Q12809 2/20 0.33
KMT2A Q03164 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL16352146 0.90 MET (0.37) KDM4ELMNAALDH1A1MAOB
SCHEMBL16352140 0.88 HCAR2 (0.38) LTB4RLTB4R2KDM4ELMNATDP1
SCHEMBL16352109 0.88 ALOX5 (0.42) ALDH1A1
SCHEMBL16352154 0.87 MAOB (0.38) L3MBTL1ALDH1A1MAOB
SCHEMBL16352141 0.82 LMNA (0.41) CTDSP1KDM4ELMNAAPOBEC3AAPOBEC3G
SCHEMBL16352112 0.81 ALOX5 (0.44) ALDH1A1
SCHEMBL16352110 0.81 FFAR1 (0.39) LMNAL3MBTL1FFAR1
SCHEMBL16364158 0.80 LTB4R (0.38) LTB4RLTB4R2
SCHEMBL16352123 0.80 LTB4R (0.38) LTB4RLTB4R2KCNH2KMT2ACTDSP1
SCHEMBL18622049 0.76

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 LTB4R 2235/4885LTB4R2 3680/4885KCNH2 4566/4885

“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.