SCHEMBL126988

SCHEMBL126988

Cc1cccc(C)c1[Mg]Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 2/20 0.43
ACHE P22303 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TRPA1 O75762 2/20 0.36
ATM Q13315 2/20 0.36
CD44 P16070 1/20 0.36
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL11796527 0.83 ALDH1A1 (0.37) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL4590231 0.79 CA1 (0.42) CYP1A2TSHRALDH1A1CA1CA2
SCHEMBL5029845 0.75 CYP1A2 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL366710 0.71 RAPGEF4 (0.39) CYP2A6CYP1A2TSHRALDH1A1CA1
SCHEMBL1317465 0.71 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL1315331 0.71 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL29456798 0.70 TRPA1 (0.42) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL1022119 0.70 TRPA1 (0.42) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL29881812 0.69
SCHEMBL959600 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO 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-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-4621028-A1 FLUORESCENCE RECOVERY IN NANOGRAPHENE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-09-24 EP disclosed
US-12409238-B2 Silicone-based dyes with short wavelength infrared absorption and emission and methods for making and using the same UNIV MISSISSIPPI (US) 2025-09-09 US disclosed
WO-2025000671-A1 SULFONAMIDE COMPOUND AND USE THEREOF 凌科药业(杭州)有限公司 2025-01-02 WO disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed
US-5654441-A Synthesis of 1,3-oxathiolane sulfoxide compounds UNIROYAL CHEMICAL LTD./LTEE (CA) 1997-08-05 US disclosed
US-4124751-A PHENYLMAGNESIUM HALIDE AS INITIATOR HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-3965112-A Imidazoline derivatives JOHN WYETH & BROTHER LIMITED (EN) 1976-06-22 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 (2 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-12409238-B2 Silicone-based dyes with short wavelength infrared absorption and emission and methods for making and using the same SMARCB1, SMARCD1, SMARCA5 CYP2A6 3887/4885CYP1A2 3175/4885ACHE 992/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG CYP2A6 355/4885CYP1A2 394/4885ACHE 4145/4885

“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.