SCHEMBL450797

SCHEMBL450797

COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
ACHE P22303 2/20 0.52
PKM P14618 2/20 0.50
ALDH1A1 P00352 5/20 0.49
BCHE P06276 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL2901788 1.00 ACHE (0.52) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL759993 0.94 ALDH1A1 (0.48) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL3143792 0.94 ALDH1A1 (0.48) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL2901199 0.94 MAPT (0.50) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL2902133 0.89 HSD11B1 (0.44) ACHEPKMALDH1A1BCHEMAPT
SCHEMBL2966006 0.87 GAA (0.52) PKMALDH1A1RAPGEF4KMT2AMAPT
SCHEMBL450430 0.86 PKM (0.50) PKMALDH1A1KMT2AMEN1MAPT
Trifluoromethanesulfonic Acid SCHEMBL2901812 0.85 ACHE (0.47) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL12216246 0.85 ACHE (0.71) ACHEALDH1A1KMT2AMAPTCYP3A4
SCHEMBL3872273 0.85 ACHE (0.71) ACHEALDH1A1KMT2AMAPTCYP3A4

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 116 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
CN-104662049-B Photocurable composition and method for producing film using same 佳能株式会社 2020-06-02 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-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition 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
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 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-20020196896-A1 Exposure method, exposure apparatus, X-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-12-26 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
EP-1193553-A2 Exposure method, exposure apparatus, x-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-04-03 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-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 ACHE 4432/4885PKM 4761/4885ALDH1A1 1654/4885
US-10421853-B2 Photosensitive gas generating agent and photocurable composition PFN1, PFAS, FRG1 ACHE 4856/4885PKM 269/4885ALDH1A1 4165/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA ACHE 4019/4885PKM 4172/4885ALDH1A1 1216/4885

“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.