SCHEMBL1022299

SCHEMBL1022299

COc1ccc([Mg]Br)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ACHE P22303 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTT P42858 1/20 0.38
SNCA P37840 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36

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
SCHEMBL31737526 1.00 GAA (0.41) GAACA12CA1CA2CA7
SCHEMBL1416677 0.79 CA12 (0.56) GAACA12CA1CA2CA7
SCHEMBL30792548 0.79 CA12 (0.56) GAACA12CA1CA2CA7
SCHEMBL31397784 0.79 ALDH1A1 (0.41) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7110303 0.78 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL9510477 0.78 CYP1A2 (0.42) GAACA12CA1CA2CA7
SCHEMBL3016274 0.75 CA12 (0.56) GAACA12CA1CA2CA7
SCHEMBL21950835 0.75 CRHR1 (0.38) GAACA12CA1CA2CA7
SCHEMBL1021714 0.73 TDP1 (0.42) ACHECYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL29352597 0.72 CA12 (0.53) GAACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-20 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
EP-3183242-B1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-19 EP disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10709719-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US disclosed
EP-0826683-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2004-10-06 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO disclosed
US-6627611-B2 Reacting a acetophenyl derivative with an aromatic aldehyde or heterocylic containing aldehyde derivative by aldol condentation followed by reduction KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2003-09-30 US disclosed
US-20010041674-A1 C-glycosides and preparation of thereof as antidiabetic agents KOTOBUJKI PHARMACEUTICAL CO., LTD. 2001-11-15 US disclosed
US-5998442-A ANTICHOLESTEROL AGENTS ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0826683-A1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-04 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 (8 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-20010041674-A1 C-glycosides and preparation of thereof as antidiabetic agents GCG, SLC5A1, SLC5A2 GAA 583/4885CA12 319/4885CA1 431/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 GAA 4549/4885CA12 3373/4885CA1 3166/4885
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 GAA 4735/4885CA12 4556/4885CA1 3446/4885
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 GAA 4735/4885CA12 4556/4885CA1 3446/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 GAA 4735/4885CA12 4556/4885CA1 3446/4885
US-11058696-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 GAA 4735/4885CA12 4556/4885CA1 3446/4885
US-10709719-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 GAA 4735/4885CA12 4556/4885CA1 3446/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG GAA 2195/4885CA12 2274/4885CA1 2271/4885

“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.