SCHEMBL18095957

SCHEMBL18095957

O=[N+]([O-])C[C@@H](OC(c1ccccc1)c1ccccc1)[C@H](O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
NPC1 O15118 2/20 0.40
ADAM17 P78536 1/20 0.40
CPA1 P15085 3/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL8796436 0.71 NPC1 (0.49) GSRNPC1ADAM17CPA1MAPT
SCHEMBL1986382 0.71 GSR (0.51) GSRNPC1ADAM17CPA1MAPT
SCHEMBL14746522 0.70 GSR (0.55) GSRNPC1ADAM17CPA1MAPT
SCHEMBL5521085 0.70 ALDH1A1 (0.67) GSRNPC1ADAM17CPA1MAPT
SCHEMBL6256630 0.70 ALDH1A1 (0.67) GSRNPC1ADAM17CPA1MAPT
SCHEMBL1348353 0.70 ALDH1A1 (0.67) GSRNPC1ADAM17CPA1MAPT
SCHEMBL9202581 0.67 NPC1 (0.56) NPC1ADAM17CPA1MAPTMAPK1
SCHEMBL4788685 0.66 NPC1 (0.55) GSRNPC1ADAM17CPA1MAPT
Nitric Acid SCHEMBL9803283 0.65 GSR (0.53) GSRNPC1MAPTKDM4EALDH1A1
SCHEMBL502622 0.64 LMNA (0.40) GSRMAPK1KDM4EALDH1A1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-10544182-B2 Synthesis of desosamines Presidents and Fellow of Harvard College (US) 2020-01-28 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
EP-3277701-A1 SYNTHESIS OF DESOSAMINES President and Fellows of Harvard College (US) 2018-02-07 EP disclosed
WO-2016154533-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-29 WO disclosed
WO-2016154533-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-29 WO 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 (4 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-11008358-B2 Synthesis of desosamines NANS, GALE, FUT6 GSR 589/4885NPC1 1428/4885ADAM17 2708/4885
US-10544182-B2 Synthesis of desosamines NANS, GALE, FUT6 GSR 589/4885NPC1 1428/4885ADAM17 2708/4885
US-20180111956-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 GSR 589/4885NPC1 1428/4885ADAM17 2708/4885
US-20200347087-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 GSR 589/4885NPC1 1428/4885ADAM17 2708/4885

“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.