SCHEMBL5035200

SCHEMBL5035200

O=C(C(=O)[C@@](O)(Br)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.38
CES1 P23141 11/20 0.38
ALDH1A1 P00352 1/20 0.36
EGFR P00533 2/20 0.34
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRKCA P17252 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL28395946 1.00 CES2 (0.38) CES2CES1ALDH1A1EGFRPTPN1
SCHEMBL31038964 0.86 CES2 (0.39) CES2CES1ALDH1A1EGFRPDE4A
SCHEMBL5866820 0.79 CES2 (0.36) CES2CES1ALDH1A1EGFRPDE4A
Benzil SCHEMBL28453926 0.78 CES2 (0.58) CES2CES1ALDH1A1PDE4ALMNA
Benzil SCHEMBL2341683 0.78 CES2 (0.58) CES2CES1ALDH1A1PDE4ALMNA
SCHEMBL28758743 0.77 CES2 (0.40) CES2CES1ALDH1A1EGFRLMNA
SCHEMBL28205998 0.76 CES1 (0.38) CES2CES1ALDH1A1EGFRLMNA
SCHEMBL10775308 0.75 CES2 (0.37) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL16210771 0.75 CES1 (0.39) CES2CES1ALDH1A1PDE4ALMNA
SCHEMBL28821597 0.75 CES1 (0.39) CES2CES1ALDH1A1PDE4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421100-B1 CHEMICAL SYNTHESIS OF SOLAMARGINE GLYCOMED SCIENCES LTD (KY) 2008-07-09 EP disclosed
US-20040259814-A1 Synthesis of solanum glycosides GLYCOMED SCIENCES LIMITED (KY) 2004-12-23 US disclosed
EP-1421100-A1 CHEMICAL SYNTHESIS OF SOLAMARGINE GlycoMed Sciences Limited (AU) 2004-05-26 EP disclosed
WO-2003018604-A1 SYNTHESIS OF SOLANUM GLYCOSIDES GLYCOMED SCIENCES LIMITED (AU) 2003-03-06 WO disclosed
EP-0721956-B1 21-SUBSTITUTED STEROID COMPOUND NISSIN FOOD PRODUCTS LTD (JP) 2000-08-02 EP disclosed
EP-0721956-A1 21-SUBSTITUTED STEROID COMPOUND NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1996-07-17 EP 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-20040259814-A1 Synthesis of solanum glycosides GALE, MGAM, STS CES2 2084/4885CES1 1806/4885ALDH1A1 3821/4885

“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.