SCHEMBL7681252

SCHEMBL7681252

O=[N+]([O-])c1ccc(C2O[C@H]([C@H](O)CO)[C@H](O)[C@H](CO)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
LGALS3 P17931 1/20 0.42
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PMP22 Q01453 1/20 0.40
HK1 P19367 1/20 0.39
HK2 P52789 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL28774531 0.81 SLC5A2 (0.40) LGALS3
SCHEMBL28928268 0.81 EPHX1 (0.35) EPHX1LGALS3
SCHEMBL27526484 0.81 SLC5A2 (0.38)
SCHEMBL13415299 0.80 SLC5A2 (0.43) EPHX1
SCHEMBL468525 0.80 SLC5A2 (0.43) EPHX1
SCHEMBL7681079 0.79 SLC5A2 (0.49)
SCHEMBL9809746 0.78 SLC5A2 (0.37) TDP1
SCHEMBL28650376 0.78 SLC5A2 (0.49)
SCHEMBL27554109 0.78 SLC5A2 (0.38)
P-Nitrophenol SCHEMBL27776317 0.76 EPHX1 (0.41) EPHX1LGALS3CYP1A2NFKB1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305414-B Polyolefin composition and process for preparing the same 赣州蓝风科技有限公司 2021-11-26 CN disclosed
CN-1303076-C Asymmetric benzaldehyde alditol derivatives, methods of making thereof, and compositions and articles containing same MILLIKEN & CO (US) 2007-03-07 CN disclosed
CN-1293079-C Process for preparing alditol acetals in high yields using mineral acids and surfactants MILLIKEN & CO (US) 2007-01-03 CN disclosed
CN-1511160-A Process for preparing alditol acetals in high yields using mineral acids and surfactants 美利肯公司 2004-07-07 CN disclosed
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants MILLIKEN & COMPANY 2002-09-26 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-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants SORD, ALDOA, DERA EPHX1 3888/4885LGALS3 3368/4885CYP1A2 3513/4885

“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.