SCHEMBL1794370

SCHEMBL1794370

O=S(=O)(c1ccc(OCCCCCCOc2ccc(S(=O)(=O)c3ccccc3O)cc2)cc1)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.49
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA9 Q16790 10/20 0.49
CA4 P22748 3/20 0.49
MMP2 P08253 3/20 0.48
MMP12 P39900 2/20 0.48
MMP13 P45452 2/20 0.48
MMP14 P50281 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CA7 P43166 3/20 0.45
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL1793533 1.00 CA12 (0.49) CA12CA1CA2CA9CA4
SCHEMBL1791608 0.98 MMP2 (0.49) CA12CA1CA2CA9CA4
SCHEMBL50959 0.97 MMP2 (0.48) CA12CA1CA2CA9CA4
SCHEMBL1793050 0.95 MMP2 (0.49) CA12CA1CA2CA9CA4
SCHEMBL10181500 0.94 MMP2 (0.49) CA12CA1CA2CA9CA4
SCHEMBL1794276 0.94 MMP2 (0.50) CA12CA1CA2CA9CA4
SCHEMBL6364901 0.93 TSHR (0.54) CA12CA1CA2CA9CA7
SCHEMBL1797090 0.89 NR5A1 (0.42) CA12CA1CA2CA9CA4
SCHEMBL1791649 0.89 NR5A1 (0.42) CA12CA1CA2CA9CA4
SCHEMBL1792643 0.89 MMP2 (0.47) CA12CA1CA2CA9CA4

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 CA12 1924/4885CA1 2502/4885CA2 2501/4885

“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.