SCHEMBL1022119

SCHEMBL1022119

Cc1cccc([Mg]Br)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 2/20 0.42
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CD44 P16070 1/20 0.32
HTR2C P28335 1/20 0.31
ADRB1 P08588 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL29456798 1.00 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
Tetrahydrofuran SCHEMBL29148622 0.84 CNR2 (0.33) TRPA1ATMALDH1A1SMN1; SMN2
SCHEMBL29881812 0.79
SCHEMBL1137018 0.79 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL959600 0.79
SCHEMBL1125226 0.76 ACHE (0.37) ACHEALDH1A1SMN1; SMN2
SCHEMBL1314594 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL1317819 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL7105911 0.73 CA1 (0.42) TSHRALDH1A1CA1CA2CA7
SCHEMBL14892395 0.71 TSHR (0.39) CYP1A2TSHRACHEALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677636-B Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2024-01-26 CN claimed
CN-115677636-A Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2023-02-03 CN claimed
CN-115028519-A Novel synthesis method of dexmedetomidine intermediate 2, 3-dimethylacetophenone 南京亿华药业有限公司 2022-09-09 CN claimed
WO-2021012478-A1 HYDROGENATION ANNULE [12] AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
WO-2021012479-A1 HYDROGENATED CYCLIC [8] AROMATIC HYDROCARBON COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
CN-112194626-A Synthesis method of medetomidine 康普药业股份有限公司 2021-01-08 CN claimed
CN-110372468-B Hydrogenated endless [8] arene compound and preparation method thereof 清华大学 2020-11-10 CN claimed
CN-110372469-B Hydrogenated cyclo [12] arene compound and preparation method thereof 清华大学 2020-09-08 CN claimed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
EP-4506340-A1 METHOD FOR PRODUCING MEDETOMIDINE AND ITS DERIVATIVES Obshestvo s Ogranichennoj Otvetstvennostju "Vikzdorove Zhivotnyh" (RU) 2025-02-12 EP disclosed
US-4584383-A Substituted 2-mercapto-imidazoles and their preparation FARMOS YHTYMA-OY (FI) 1986-04-22 US disclosed
EP-0146228-A1 Substituted 2-mercapto-imidazoles and their preparation and use Farmos-Yhtyma Oy (FI) 1985-06-26 EP disclosed
US-3969522-A Diaryl-pyridyl-imidazole methanes for treating mycotic infections BAYER AKTIENGESELLSCHAFT (DT) 1976-07-13 US 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-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TRPA1 2739/4885ATM 4854/4885CYP2A6 355/4885

“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.