SCHEMBL453404

SCHEMBL453404

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
HSD17B2 P37059 1/20 0.36
NR4A1 P22736 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NLRP3 Q96P20 1/20 0.34
GLO1 Q04760 1/20 0.33
ACHE P22303 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
UQCRB P14927 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL38662137 1.00 NR1I2 (0.39) NR1I2HSD17B2NR4A1ALDH1A1HPGD
SCHEMBL2904042 0.88 ALDH1A1 (0.36) NR1I2NR4A1ALDH1A1HPGDCYP3A4
Toliodium SCHEMBL2900119 0.86 ALDH1A1 (0.40) NR4A1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL221346 0.85 NR4A1 (0.39) NR4A1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL5442126 0.84 NR1I2 (0.39) NR1I2HSD17B2NR4A1ALDH1A1HPGD
SCHEMBL2903961 0.84 NR4A1 (0.37) NR4A1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL647378 0.82 NLRP3 (0.44) NR1I2HSD17B2ALDH1A1HPGDNLRP3
SCHEMBL29754167 0.81 NR1I2 (0.37) NR1I2HSD17B2NR4A1ALDH1A1HPGD
SCHEMBL453181 0.81 NR1I2 (0.37) NR1I2HSD17B2NR4A1ALDH1A1HPGD
SCHEMBL2901774 0.81 TDP1 (0.44) NR4A1ALDH1A1HPGDCYP3A4TSHR

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010943-B1 CURABLE COMPOSITION, FILM, AND METHOD OF PRODUCING FILM CANON KK (JP) 2024-04-03 EP disclosed
EP-2841255-B1 RESIN PRODUCTION METHOD AND RESIN PRODUCTION APPARATUS CANON KK (JP) 2020-05-13 EP disclosed
US-10472445-B2 Photocurable composition and method for manufacturing film CANON KABUSHIKI KAISHA (JP) 2019-11-12 US disclosed
US-10421853-B2 Photosensitive gas generating agent and photocurable composition CANON KABUSHIKI KAISHA (JP) 2019-09-24 US disclosed
EP-2758987-B1 METHOD OF FORMING A FILM CANON KK (JP) 2019-03-20 EP disclosed
US-10208183-B2 Curable composition, film, and method of producing film CANON KABUSHIKI KAISHA (JP) 2019-02-19 US disclosed
US-9982102-B2 Photocurable composition and method of manufacturing film using the composition CANON KABUSHIKI KAISHA (JP) 2018-05-29 US disclosed
US-9961776-B2 Method of producing cured product and method of forming pattern CANON KABUSHIKI KAISHA (JP) 2018-05-01 US disclosed
EP-2847235-B1 PHOTOCURABLE COMPOSITION AND METHOD OF MANUFACTURING FILM USING THE COMPOSITION CANON KK (JP) 2017-11-22 EP disclosed
EP-2850650-B1 PHOTOCURABLE COMPOSITION AND METHOD FOR MANUFACTURING A FILM CANON KK (JP) 2017-09-20 EP disclosed
EP-1164433-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2001-12-19 EP disclosed
US-20010023050-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2001-09-20 US disclosed
US-6280900-B1 RADIATION SENSITIVE COMPOSITION WITH ALKALINE DEVELOPER SOLUBLE IN POLYMER COATED ON SUBSTRATE JSR CORPORATION (JP) 2001-08-28 US disclosed
EP-1122605-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2001-08-08 EP disclosed
US-6235446-B1 MIXTURE OF P-HYDROXYSTYRENE, ACRYLATED ESTER JSR CORPORATION (JP) 2001-05-22 US disclosed
EP-1085379-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2001-03-21 EP disclosed
US-6136500-A CONTAINS A PHOTOACID GENERATOR COMPRISING A COMBINATION OF A COMPOUND THAT GENERATES A CARBOXYLIC ACID UPON EXPOSURE TO RADIATION AND ANOTHER COMPOUND THAT GENERATES ANOTHER ACID UPON EXPOSURE TO RADIATION JSR CORPORATION (JP) 2000-10-24 US disclosed
EP-1035436-A1 Resist pattern formation method JSR Corporation (JP) 2000-09-13 EP disclosed
EP-1011029-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2000-06-21 EP disclosed
EP-0898201-A1 Radiation sensitive resin composition JSR Corporation (JP) 1999-02-24 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 (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-10421853-B2 Photosensitive gas generating agent and photocurable composition PFN1, PFAS, FRG1 NR1I2 2055/4885HSD17B2 3992/4885NR4A1 1981/4885

“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.