SCHEMBL794901

SCHEMBL794901

COC(=O)c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
RAB9A P51151 6/20 0.58
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 4/20 0.50

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
SCHEMBL7523409 0.92 CA1 (0.61) TSHRRAB9AMAPTL3MBTL1CASP3
SCHEMBL795457 0.84 TSHR (0.60) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL28249321 0.83 TSHR (0.95) TSHRRAB9AMAPTL3MBTL1CASP3
Benzene SCHEMBL28351738 0.83 TSHR (0.85) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29831725 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL7200 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29039896 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL1332323 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29105567 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL1867855 0.81 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2017-02-09 US disclosed
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2017-02-09 US disclosed
US-9523911-B2 Radiation-sensitive resin composition, resist pattern-forming method, acid generator and compound JSR CORPORATION (JP) 2016-12-20 US disclosed
US-9188858-B2 Radiation-sensitive resin composition, method for forming resist pattern, acid generating agent and compound JSR CORPORATION (JP) 2015-11-17 US disclosed
US-9152044-B2 2015-10-06 US disclosed
US-9122154-B2 Radiation-sensitive resin composition, and radiation-sensitive acid generating agent JSR CORPORATION (JP) 2015-09-01 US disclosed
US-9104102-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2015-08-11 US disclosed
US-8916333-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-12-23 US disclosed
US-20140342288-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND JSR CORPORATION (JP) 2014-11-20 US disclosed
US-8889888-B2 Sulfonic acid salt and derivative thereof, photo-acid generator, and process for production of sulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2014-11-18 US disclosed
US-8026039-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2011-09-27 US disclosed
US-20110143279-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2011-06-16 US disclosed
US-7956142-B2 Polymerizable sulfonic acid onium salt and resin JSR CORPORATION (JP) 2011-06-07 US disclosed
US-20110112306-A1 Novel Sulfonic Acid Salt and Derivative thereof, Photo-Acid Generator, and Process for Production of Sulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20110014569-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-01-20 US disclosed
US-20100255420-A1 RADIATION SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2010-10-07 US disclosed
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN JSR CORPORATION (JP) 2010-03-11 US disclosed
US-20100040977-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-18 US disclosed
US-20070054214-A1 Acid generators, sulfonic acids, sulfonyl halides, and radiation sensitive resin compositions JSR CORPORATION (JP) 2007-03-08 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 (4 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-20100063232-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN ASIC1, RER1, RPS10 TSHR 941/4885RAB9A 1319/4885MAPT 3461/4885
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION AFF1, RER1, AFF4 TSHR 1006/4885RAB9A 751/4885MAPT 2651/4885
US-20110112306-A1 Novel Sulfonic Acid Salt and Derivative thereof, Photo-Acid Generator, and Process for Production of Sulfonic Acid Salt ASIC1, FGFR1, PFAS TSHR 1269/4885RAB9A 1717/4885MAPT 1898/4885
US-20170038679-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN-FORMING METHOD, ACID GENERATOR AND COMPOUND RER1, ASIC1, GAR1 TSHR 2027/4885RAB9A 1242/4885MAPT 3574/4885

“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.