SCHEMBL9508923

SCHEMBL9508923

Fc1ccc2c(c1)Sc1ccc(F)cc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.48
ALDH1A1 P00352 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC8 Q9BY41 3/20 0.33
RAD52 P43351 1/20 0.33
GPR84 Q9NQS5 4/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DRD2 P14416 2/20 0.32
HPGD P15428 1/20 0.32
AURKA O14965 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL4924610 1.00
SCHEMBL9511403 1.00 NOX1 (0.48) NOX1ALDH1A1CA3CA6CA5A
SCHEMBL29411773 1.00 NOX1 (0.48) NOX1ALDH1A1CA3CA6CA5A
SCHEMBL11827278 0.92 NOX1 (0.59) NOX1ALDH1A1CYP1A2CYP2A6GPR84
SCHEMBL19010406 0.86 ACHE (0.44) NOX1ALDH1A1CYP1A2CYP2A6HPGD
SCHEMBL30812356 0.79 NOX1 (0.43) NOX1GPR84DRD2
SCHEMBL9511329 0.74 NOX1 (0.42) NOX1ALDH1A1CA3CA6CA5A
SCHEMBL342918 0.74 NOX1 (0.81) NOX1CA9CYP1A2
SCHEMBL38661040 0.74 NOX1 (0.38) NOX1ALDH1A1CA3CA6CA5A
SCHEMBL29756225 0.74 NOX1 (0.38) NOX1ALDH1A1CA6HDAC8RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181374-B Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2023-02-28 CN claimed
CN-114181374-A Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2022-03-15 CN claimed
CN-109280166-B High-performance colorless transparent polyimide film and preparation method thereof 天津市天缘电工材料股份有限公司 2021-05-11 CN claimed
US-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS UCHICAGO ARGONNE, LLC 2017-03-02 US claimed
US-20240105945-A1 NOVEL ORGANIC ELECTRODES AND THEIR USE IN ELECTROCHEMICAL SYSTEMS ELECTRICITE DE FRANCE (FR) 2024-03-28 US disclosed
EP-4333124-A1 NOVEL ORGANIC ELECTRODES AND THEIR USE IN ELECTROCHEMICAL SYSTEMS Electricité de France (FR) 2024-03-06 EP disclosed
CN-117637983-A Novel organic electrode and application thereof in electrochemical system 法国电力公司 2024-03-01 CN disclosed
US-11851529-B2 Triazine ring-containing polymer, and thermoplastic article and optical part including same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-12-26 US disclosed
EP-3789451-B1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS UNIV CORNELL (US) 2023-06-07 EP disclosed
CN-114181374-B Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2023-02-28 CN disclosed
CN-114181374-A Preparation method of thianthrene structure bromine element high-refractive index optical resin 江南大学 2022-03-15 CN disclosed
EP-3789451-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS Cornell University (US) 2021-03-10 EP disclosed
US-9624314-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2017-04-18 US disclosed
US-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS UCHICAGO ARGONNE, LLC 2017-03-02 US disclosed
US-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS UCHICAGO ARGONNE, LLC 2017-03-02 US disclosed
US-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS UCHICAGO ARGONNE, LLC 2017-03-02 US disclosed
US-20160304630-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2016-10-20 US disclosed
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 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-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS CYP11B1, CYP11B2, ESR2 NOX1 144/4885ALDH1A1 726/4885CA3 2074/4885

“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.