SCHEMBL3140089

SCHEMBL3140089

COc1c(C)cc([Mg]Br)cc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.36
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
DHFR P00374 1/20 0.31
PTPN1 P18031 1/20 0.31
CA9 Q16790 1/20 0.30

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
Bromide SCHEMBL3682977 0.78 ALDH1A1 (0.37) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL3136217 0.76 ALDH1A1 (0.36) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL721838 0.76 CYP3A4 (0.56) ALDH1A1ACHECYP3A4MAPTCA9
SCHEMBL4184604 0.74 TUBB1 (0.36) TDP1ACHECYP3A4MAPTCA2
SCHEMBL363341 0.72 KDM4E (0.45) ALDH1A1ACHEMAPTCA2CA4
SCHEMBL9768514 0.72 TDP1 (0.59) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL1021779 0.71 ALOX15 (0.42) ALDH1A1ACHECYP3A4MAPTCA2
SCHEMBL10030804 0.71 ACHE (0.43) ALDH1A1TDP1ACHECYP3A4MAPT
SCHEMBL129762 0.71 ACHE (0.57) ALDH1A1TDP1ACHECYP3A4MAPT
Hydrochloric Acid SCHEMBL28586799 0.70 KDM4E (0.44) ALDH1A1ACHEMAPTCA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380790-B A kind of liquid crystal polyester moulding compound and its application 金发科技股份有限公司 2018-01-23 CN claimed
CN-106380790-A Liquid crystal polyester molding composition and application thereof 金发科技股份有限公司 2017-02-08 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
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-7622604-B2 via grignard intermediate such as benzylmagnesium chloride and esterification with succinic anhydride; inflammatory and cardiovascular diseases; optimizes the amount of monoester in the final product mixture and minimizes the amount of reagents; e.g. synthesis of succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2009-11-24 US disclosed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN disclosed
CN-101391972-A Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-03-25 CN disclosed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 US disclosed
EP-1487792-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 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-2003078394-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-25 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 (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-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 ALDH1A1 723/4885TDP1 4668/4885ACHE 4757/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG ALDH1A1 2574/4885TDP1 4671/4885ACHE 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.