SCHEMBL1795157

SCHEMBL1795157

O=S(=O)(c1ccc(O)cc1)c1ccc(OCCOCOCCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 2/20 0.49
ELANE P08246 2/20 0.47
APP P05067 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
LTA4H P09960 3/20 0.42
NR5A1 Q13285 1/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1790037 0.93 GAA (0.58) GAAPKMALDH1A1ELANEAPP
SCHEMBL51856 0.93 GAA (0.58) GAAPKMALDH1A1ELANEAPP
SCHEMBL1793890 0.91 PKM (0.63) GAAPKMALDH1A1ELANENPSR1
SCHEMBL50786 0.90 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6285323 0.88 GAA (0.59) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6333881 0.88 GAA (0.59) GAAPKMALDH1A1ELANENPSR1
SCHEMBL10899984 0.87 GAA (0.56) GAAPKMALDH1A1ELANEAPP
SCHEMBL15127428 0.87 GAA (0.51) GAAPKMALDH1A1ELANEAPP
SCHEMBL51746 0.86 GAA (0.61) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6288097 0.86 GAA (0.61) GAAPKMALDH1A1ELANENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563468-B2 Color developing composition containing molecular compound, and recording material NIPPON SODA CO., LTD. (JP) 2013-10-22 US disclosed
EP-2332733-B1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL NIPPON SODA CO (JP) 2012-11-28 EP disclosed
EP-2332733-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL Nippon Soda Co., Ltd. (JP) 2011-06-15 EP disclosed
US-20110120345-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL NIPPON SODA CO., LTD. (JP) 2011-05-26 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-20110120345-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL HBG1, HBG2, CYC1 GAA 3458/4885PKM 2273/4885ALDH1A1 1621/4885

“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.