SCHEMBL3016274

SCHEMBL3016274

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP3A4 P08684 1/20 0.44
IDO1 P14902 2/20 0.43
ADRA1A P35348 2/20 0.43
NFE2L2 Q16236 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL1416677 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL30792548 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2496399 0.79 ACHE (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL28898413 0.79 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL636066 0.78 NFE2L2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL4493751 0.78 TRPV4 (0.42) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL1022299 0.75 GAA (0.41) CA12CA1CA2CA7CA9
SCHEMBL31737526 0.75 GAA (0.41) CA12CA1CA2CA7CA9
SCHEMBL7110303 0.73 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL9510477 0.73 CYP1A2 (0.42) CA12CA1CA2CA7CA9

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 58 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
EP-0977739-B1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORP (US) 2003-10-29 EP claimed
EP-0977739-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2000-02-09 EP claimed
US-5998620-A Synthesis of intermediates useful in preparing tricyclic compounds SCHERING CORPORATION (US) 1999-12-07 US claimed
WO-1998042676-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 1998-10-01 WO claimed
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
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-6420365-B1 Imidazopyridines and related derivatives as selective modulators of bradykinin B2 receptors NEUROGEN CORPORATION 2002-07-16 US disclosed
WO-2001053298-A1 IMIDAZOPYRIDINES AND RELATED AZACYCLIC DERIVATIVES AS SELECTIVE MODULATORS OF BRADYKININ B2 RECEPTORS NEUROGEN CORPORATION (US) 2001-07-26 WO disclosed
EP-0977739-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2000-02-09 EP disclosed
US-5998620-A Synthesis of intermediates useful in preparing tricyclic compounds SCHERING CORPORATION (US) 1999-12-07 US disclosed
WO-1998042676-A1 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 1998-10-01 WO disclosed
WO-1997005110-A1 PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1997-02-13 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 (5 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 CA12 4586/4885CA1 4666/4885CA2 4225/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CA12 4586/4885CA1 4666/4885CA2 4225/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CA12 4191/4885CA1 4516/4885CA2 3811/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CA12 4191/4885CA1 4516/4885CA2 3811/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG CA12 2274/4885CA1 2271/4885CA2 1983/4885

“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.