SCHEMBL2898676

SCHEMBL2898676

O=[N+]([O-])c1cccc([I+](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cccc([N+](=O)O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
MMP1 P03956 4/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP8 P22894 4/20 0.34
MMP13 P45452 4/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CA5A P35218 1/20 0.34
MEN1 O00255 2/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33

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
SCHEMBL2903729 0.99 MMP1 (0.35) HTTKMT2AGAATSHRLMNA
SCHEMBL2902301 0.87 HTT (0.39) HTTKMT2AGAATSHRLMNA
SCHEMBL3982973 0.80 CA2 (0.32) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3980025 0.79 CA1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4424725 0.78 GPR17 (0.44) HTTKMT2AGAATSHRLMNA
SCHEMBL4425580 0.76 ENPP2 (0.36) HTTKMT2AGAATSHRLMNA
SCHEMBL2901802 0.76 GAA (0.38) HTTKMT2AGAATSHRLMNA
SCHEMBL2903778 0.75 GAA (0.46) HTTKMT2AGAATSHRLMNA
SCHEMBL51423 0.73 CA2 (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL59304 0.72 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
US-6846607-B2 Carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 US disclosed
US-6830868-B2 Useful as a chemically amplified resist responding to active radiation, for example ultraviolet rays such as a KrF excimer laser, ArF excimer laser, and F2 excimer laser JSR CORPORATION (JP) 2004-12-14 US disclosed
US-6821705-B2 USED AS CHEMICALLY AMPLIFIED RESIST, EXHIBITS HIGH SENSITIVITY, RESOLUTION, RADIATION TRANSMITTANCE, AND SURFACE SMOOTHNESS, AND IS FREE FROM THE PROBLEM OF PARTIAL INSOLUBLIZATION DURING OVEREXPOSURE JSR CORPORATION (JP) 2004-11-23 US disclosed
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
US-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-16 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 EP disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 HTT 4523/4885KMT2A 663/4885GAA 1889/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 HTT 3475/4885KMT2A 443/4885GAA 3284/4885

“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.