SCHEMBL2688076

SCHEMBL2688076

CCOC(=O)CC(O)(CC(=O)O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPRB P23467 1/20 0.37
ACP1 P24666 1/20 0.37
TRPA1 O75762 1/20 0.36
HSD11B1 P28845 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 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
SCHEMBL31635438 0.93 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL73473 0.89 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2418727 0.88 SOAT1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2468536 0.87 ALDH1A1 (0.40) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL21518137 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4942630 0.86 PKM (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27375665 0.85 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23330 0.85 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2744420 0.84 ALDH1A1 (0.52) ALDH1A1EGLN1KDM4EHMGCRCHRM1
Triethyl Citrate SCHEMBL4250304 0.84 ALDH1A1 (0.52) GAAMGAMSIMGAM2ALDH1A1

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-8168741-B2 Chelating silicon-based polymers JOINT INTELLECTUAL PROPERTY POLICY OF MCMASTER UNIVERSITY (CA) 2012-05-01 US disclosed
US-20090118456-A1 CHELATING SILICON-BASED POLYMERS MCMASTER UNIVERSITY (CA) 2009-05-07 US disclosed
WO-2008061363-A1 BIOMOLECULE COMPATIBLE SILICA PARTICLES MCMASTER UNIVERSITY (CA) 2008-05-29 WO disclosed
EP-1915385-A1 CHELATING SILICON-BASED POLYMERS McMaster University (CA) 2008-04-30 EP disclosed
CN-100354126-C Process for producing cellulose acylate film FUJIPHOTO FILM CO LTD (JP) 2007-12-12 CN disclosed
US-20070059458-A1 Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 US disclosed
WO-2007014471-A1 CHELATING SILICON-BASED POLYMERS MCMASTER UNIVERSITY (CA) 2007-02-08 WO disclosed
CN-1537052-A Process for producing cellulose acylate film ��ʿ��Ƭ��ʽ���� 2004-10-13 CN 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-20090118456-A1 CHELATING SILICON-BASED POLYMERS SRM, SMURF1, SLC39A14 GAA 109/4885MGAM 2638/4885SI 836/4885

“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.