SCHEMBL1794645

SCHEMBL1794645

C=CC(COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.43
ELANE P08246 2/20 0.42
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA7 P43166 3/20 0.38
CA12 O43570 3/20 0.38
CTRC Q99895 1/20 0.37
LMNA P02545 2/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
POLB P06746 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
SCHEMBL1795224 0.83 CA1 (0.40) GAAALDH1A1CA1CA2CA9
SCHEMBL1831628 0.82 PKM (0.53) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1790989 0.80 CA1 (0.38) PKMGAAELANECA1CA2
SCHEMBL1793112 0.79 PKM (0.54) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1395596 0.79 GAA (0.56) PKMGAAALDH1A1ELANENPSR1
SCHEMBL51473 0.79 GAA (0.56) PKMGAAALDH1A1ELANENPSR1
SCHEMBL26900 0.77 CA12 (0.63) PKMGAAALDH1A1ELANENPSR1
SCHEMBL5879494 0.77 CA12 (0.63) PKMGAAALDH1A1ELANENPSR1
SCHEMBL830215 0.77 GAA (0.59) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1793460 0.77 PKM (0.51) PKMGAAALDH1A1ELANENPSR1

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 PKM 2273/4885GAA 3458/4885ALDH1A1 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.