SCHEMBL1790710

SCHEMBL1790710

O=S(=O)(c1ccc(O)cc1)c1ccccc1OCCCCOc1ccccc1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
PKM P14618 1/20 0.41
ESR1 P03372 1/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.39
PTK2B Q14289 1/20 0.39
NAMPT P43490 1/20 0.38
MMP2 P08253 5/20 0.38
MMP12 P39900 4/20 0.38
MMP13 P45452 4/20 0.38
MMP14 P50281 4/20 0.38
MMP1 P03956 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 2/20 0.38
MMP16 P51512 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL1794497 0.98 HTR6 (0.46) HTR6GAAPOLBGFERPKM
SCHEMBL1793070 0.98 HTR6 (0.46) HTR6GAAPOLBGFERPKM
SCHEMBL1791866 0.97 HTR6 (0.47) HTR6GAAPOLBGFERPKM
SCHEMBL1793348 0.95 HTR6 (0.49) HTR6GAAPOLBGFERPKM
SCHEMBL51842 0.93 GAA (0.46) HTR6GAAPKMELANEMMP2
SCHEMBL7865860 0.92 GAA (0.45) HTR6GAAPKMELANEMMP2
SCHEMBL1792445 0.91 HTR6 (0.45) HTR6GAAPOLBGFERPKM
SCHEMBL9738555 0.89 HTR6 (0.47) HTR6GAAPOLBGFERPKM
SCHEMBL1791700 0.89 MMP2 (0.42) HTR6GAAPOLBGFERPKM
SCHEMBL1793390 0.89 HTR6 (0.49) HTR6GAAPOLBGFERPKM

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 HTR6 3796/4885GAA 3458/4885POLB 1096/4885

“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.