SCHEMBL636709

SCHEMBL636709

Cc1ccc(C)c([Mg]Br)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 4/20 0.38
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 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
SCHEMBL30645502 1.00 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1021714 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL10318858 0.79 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL14808687 0.76 CYP3A4 (0.46) ALDH1A1CYP2A6TP53GAARAPGEF4
SCHEMBL3610893 0.76 NFE2L2 (0.36) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL379916 0.76 ACHE (0.35) ALDH1A1CYP1A2CYP2A6ACHE
SCHEMBL6423318 0.75 CYP3A4 (0.32) CYP3A4MAPK1
SCHEMBL1313274 0.75 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1314134 0.75 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL2496399 0.73 ACHE (0.56) TDP1ALDH1A1CYP1A2GAALMNA

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 125 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
US-9233922-B2 Process for producing N-(hetero)arylazoles TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-12 US 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
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
EP-3683208-B1 COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2026-03-25 EP disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-3507263-B1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS EASTMAN CHEM CO (US) 2024-06-19 EP disclosed
WO-1997030970-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1997-08-28 WO disclosed
EP-0655051-A1 PROCESS FOR PREPARING PHENYLTEREPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 1995-05-31 EP disclosed
US-5359134-A Alkylation of p-xylene with cyclohexane, dehydrogenation and oxidation and separation EASTMAN CHEMICAL COMPANY (US) 1994-10-25 US disclosed
WO-1994004480-A1 PROCESS FOR PREPARING PHENYLTEREPHTHALIC ACID EASTMAN CHEMICAL COMPANY (US) 1994-03-03 WO disclosed
US-3965180-A CNS DEPRESSANT THE UPJOHN COMPANY (US) 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TDP1 4598/4885ALDH1A1 2743/4885CYP1A2 1131/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TDP1 4671/4885ALDH1A1 2574/4885CYP1A2 394/4885

“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.