Sugi Predict

Sugi Predict / Compounds / SCHEMBL517237

SCHEMBL517237

SCHEMBL517237

Brc1ccc(-c2c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ALOX15 P16050 2/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38

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
SCHEMBL5250848 0.87 ALDH1A1 (0.78) CYP2A6ALDH1A1MAPK1TDP1MAPT
SCHEMBL5804045 0.87 ALDH1A1 (0.78) CYP2A6ALDH1A1MAPK1TDP1MAPT
SCHEMBL10019513 0.87 ALDH1A1 (0.78) CYP2A6ALDH1A1MAPK1TDP1MAPT
SCHEMBL68094 0.84 ALDH1A1 (0.73) CYP2A6ALDH1A1MAPK1ALOX15CA2
SCHEMBL1673427 0.84 ALDH1A1 (0.73) CYP2A6ALDH1A1MAPK1ALOX15CA2
SCHEMBL12302096 0.84 ALDH1A1 (0.73) CYP2A6ALDH1A1MAPK1ALOX15CA2
SCHEMBL13777182 0.83 ALDH1A1 (0.55) CYP2A6ALDH1A1MAPK1TDP1GAA
SCHEMBL25392161 0.81 MAPT (0.52) CYP2A6ALDH1A1MAPK1ALOX15IKBKB
SCHEMBL29716815 0.81 ALOX15 (0.50) CYP2A6ALDH1A1MAPK1ALOX15IKBKB
SCHEMBL13454731 0.81 ALDH1A1 (0.50) CYP2A6ALDH1A1MAPK1ALOX15IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176949-A Covalent organic polymer fluorescent probe and method for detecting nitro-explosive containing-OH 北京化工大学 2024-12-24 — — CN claimed
CN-117107251-A Ir-Mn-based composite catalyst and preparation method and application thereof 北京航空航天大学 2023-11-24 — — CN claimed
CN-119176949-B Covalent organic polymer fluorescent probe and method for detecting nitro-explosive containing-OH 北京化工大学 2025-09-26 — — CN disclosed
CN-119505186-A Method for preparing stable two-dimensional conjugated polymer in large quantity through cross coupling reaction at room temperature 中国科学院大学 2025-02-25 — — CN disclosed
CN-119176949-A Covalent organic polymer fluorescent probe and method for detecting nitro-explosive containing-OH 北京化工大学 2024-12-24 — — CN disclosed
CN-119176949-A Covalent organic polymer fluorescent probe and method for detecting nitro-explosive containing-OH 北京化工大学 2024-12-24 — — CN disclosed
US-11952391-B2 Intricate mixed-linker structures KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-04-09 — — US disclosed
CN-117608167-A Photoresist composition and method for producing photoresist pattern 南开大学 2024-02-27 — — CN disclosed
CN-117107251-A Ir-Mn-based composite catalyst and preparation method and application thereof 北京航空航天大学 2023-11-24 — — CN disclosed
EP-3601407-B1 FLUORESCENT POROUS ORGANIC NANOSHEETS FOR CHEMICAL SENSING NAT UNIV SINGAPORE (SG) 2023-10-25 — — EP disclosed
CN-110650990-B Fluorescent porous organic nanosheets for chemical sensing 新加坡国立大学 2022-12-20 — — CN disclosed
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-08-03 — — US disclosed
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-08-03 — — US disclosed
WO-2016025467-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-18 — — WO disclosed
WO-2016025467-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-18 — — WO disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 — — US disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 — — US disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 — — US disclosed
EP-2379476-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES The University of Melbourne (AU) 2011-10-26 — — EP disclosed
WO-2010060160-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF MELBOURNE (AU) 2010-06-03 — — WO 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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES DDT, DCX, PIN1 CYP2A6 1023/4885ALDH1A1 1940/4885MAPK1 3870/4885
US-11952391-B2 Intricate mixed-linker structures PARG, PARP1, NCL CYP2A6 4511/4885ALDH1A1 3221/4885MAPK1 3677/4885
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES SQOR, NDUFS4, NDUFS3 CYP2A6 4243/4885ALDH1A1 1024/4885MAPK1 2848/4885

“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.