SCHEMBL1800746

SCHEMBL1800746

COc1ccc([I+]c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PKM P14618 1/20 0.35
EDNRA P25101 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
PGR P06401 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL1804138 0.99 ALDH1A1 (0.38) ALDH1A1GAAKMT2AHSD11B1HTT
SCHEMBL2922351 0.95 HSD11B1 (0.40) ALDH1A1GAAKMT2AHSD11B1HTT
SCHEMBL6865932 0.93 HSD11B1 (0.40) ALDH1A1GAAKMT2AHSD11B1HTT
SCHEMBL213386 0.88 CA2 (0.40) MMP1MMP9MMP13
SCHEMBL59303 0.88 CA2 (0.40) MMP1MMP9MMP13
SCHEMBL51422 0.86 CA2 (0.38) MMP1MMP9MMP13
Trifluoromethanesulfonic Acid SCHEMBL361656 0.85 KCNH2 (0.46) ALDH1A1GAAKMT2AHSD11B1HTT
SCHEMBL7702939 0.84 GPR3 (0.35) ALDH1A1KMT2AHTTKCNH2KDM4E
SCHEMBL3284031 0.84 CA2 (0.35) PKMMMP1MMP9MMP13
Trifluoromethanesulfonic Acid SCHEMBL12613417 0.83 GPR3 (0.40) MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809476-B2 Polymer JSR CORPORATION (JP) 2014-08-19 US disclosed
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8389202-B2 Polymer, radiation-sensitive composition, monomer, and method of producing compound JSR CORPORATION (JP) 2013-03-05 US disclosed
US-20130053526-A1 POLYMER JSR CORPORATION (JP) 2013-02-28 US disclosed
US-8377627-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2013-02-19 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-8334087-B2 Polymer, radiation-sensitive composition, monomer, and method of producing compound JSR CORPORATION (JP) 2012-12-18 US disclosed
US-20120178024-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND JSR CORPORATION (JP) 2012-07-12 US disclosed
US-8173351-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2012-05-08 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-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US 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-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 (3 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 ALDH1A1 1190/4885GAA 1889/4885KMT2A 663/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 ALDH1A1 1654/4885GAA 3284/4885KMT2A 443/4885
US-20120178024-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND RAD51, PYM1, MRE11 ALDH1A1 4314/4885GAA 4524/4885KMT2A 1013/4885

“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.