SCHEMBL4279740

SCHEMBL4279740

C=CCOC(=O)OCC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL9928 0.83 CYP3A4 (0.48) CYP3A4TDP1TSHRMAPTCACNA1B
Ethylene SCHEMBL9717606 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL28554037 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
Hydrochloric Acid SCHEMBL6485439 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
Ethylene SCHEMBL3010758 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
Ammonia Solution, Strong SCHEMBL1972381 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL9551714 0.81 CYP3A4 (0.46) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL4683161 0.80 CYP3A4 (0.39) CYP3A4TDP1TSHRMAPTCACNA1B
Bicarbonate SCHEMBL9658182 0.79 CYP3A4 (0.45) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL28242422 0.79 CYP3A4 (0.45) CYP3A4TDP1TSHRMAPTCACNA1B

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
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 EP disclosed
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 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 (2 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 CYP3A4 534/4885TDP1 4772/4885TSHR 2115/4885
US-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH CYP3A4 87/4885TDP1 2704/4885TSHR 2685/4885

“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.