SCHEMBL450430

SCHEMBL450430

COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PGR P06401 2/20 0.45
HSD11B1 P28845 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 2/20 0.44
KEAP1 Q14145 2/20 0.44
SQSTM1 Q13501 1/20 0.44
NFE2L2 Q16236 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2964758 0.98 PKM (0.48) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL1089895 0.95 PKM (0.52) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL2901199 0.94 MAPT (0.50) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL3143792 0.91 ALDH1A1 (0.48) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL759993 0.91 ALDH1A1 (0.48) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL10172900 0.90 PKM (0.66) PKMALDH1A1MAPTPGRHSD11B1
SCHEMBL2958286 0.89 STAT3 (0.47) PKMALDH1A1KDM4EMEN1NPC1
SCHEMBL30727537 0.88 PKM (0.47) PKMALDH1A1PGRPOLBHTT
SCHEMBL450797 0.86 ACHE (0.52) PKMALDH1A1MEN1MAPTKMT2A
SCHEMBL2901788 0.86 ACHE (0.52) PKMALDH1A1MEN1MAPTKMT2A

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 112 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
CN-114975098-A Nanoimprint liquid material, method for producing pattern of cured product, and method for producing circuit board 佳能株式会社 2022-08-30 CN disclosed
CN-107251193-B Nanoimprint liquid material, method for producing pattern of cured product, method for producing optical component, and method for producing circuit board 佳能株式会社 2022-06-21 CN disclosed
EP-2841255-B1 RESIN PRODUCTION METHOD AND RESIN PRODUCTION APPARATUS CANON KK (JP) 2020-05-13 EP disclosed
CN-110799861-A Color developing structure, display body, and method for producing color developing structure 凸版印刷株式会社 2020-02-14 CN 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
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-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1270553-A2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR Corporation (JP) 2003-01-02 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-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 (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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 PKM 3059/4885ALDH1A1 1190/4885KDM4E 608/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 PKM 4761/4885ALDH1A1 1654/4885KDM4E 3279/4885
US-10421853-B2 Photosensitive gas generating agent and photocurable composition PFN1, PFAS, FRG1 PKM 269/4885ALDH1A1 4165/4885KDM4E 2675/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA PKM 4172/4885ALDH1A1 1216/4885KDM4E 4264/4885

“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.