SCHEMBL4246695

SCHEMBL4246695

COc1ccc2cc([Mg]Br)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 2/20 0.54
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
ABCB11 O95342 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GSTP1 P09211 1/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 3/20 0.43
TSHR P16473 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
NCF1 P14598 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL109480 0.80 CA1 (0.58) CYP2A6KDM4ERAB9AMEN1MAPK1
SCHEMBL443070 0.79 CYP1A2 (0.79) CYP1A2CYP2A6HSD17B1HSD17B2ABCB11
SCHEMBL29447161 0.79 CYP1A2 (0.79) CYP1A2CYP2A6HSD17B1HSD17B2ABCB11
Bromide SCHEMBL1271263 0.78 CA1 (0.55) CYP2A6KDM4ERAB9AMEN1MAPK1
SCHEMBL9220678 0.78 CA1 (0.55) KDM4ERAB9AMEN1MAPK1KMT2A
SCHEMBL29411044 0.77 ACHE (0.50) RAB9ANPC1
SCHEMBL24031 0.77 ACHE (0.50) RAB9ANPC1
SCHEMBL4995694 0.76 CA12 (0.46) KDM4EMAPK1
SCHEMBL6891918 0.74 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2ABCB11
SCHEMBL443528 0.74 CYP2A6 (0.80) CYP1A2CYP2A6HSD17B1HSD17B2ABCB11

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 43 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
US-6369265-B1 HETEROCOUPLING REACTION, MIXING IN A LIQUID AN ARYL HALIDE, BONDING TO AROMATIC RINGS, GRIGNARD REACTION, METAL COMPOUND AND HETEROCYCLIC CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-04-09 US claimed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO claimed
US-20240262845-A1 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE UNIV WYOMING (US) 2024-08-08 US disclosed
US-20240262844-A1 PYRIDINIUM SALTS AND METHODS OF USE UNIV WYOMING (US) 2024-08-08 US disclosed
WO-2024155932-A1 PYRIDINIUM SALTS AND METHODS OF USE UNIVERSITY OF WYOMING (US) 2024-07-25 WO disclosed
WO-2024155935-A2 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE UNIVERSITY OF WYOMING (US) 2024-07-25 WO disclosed
CN-117069717-A 2, 6-naphthyridine micromolecule derivative and preparation method thereof 江汉大学 2023-11-17 CN 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
EP-0081993-B1 OPTICALLY ACTIVE ALPHA-SUBSTITUTED ARYL KETONES, THEIR PREPARATION AND THEIR USE IN PREPARING ALPHA-ARYLALKANOIC ACIDS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-08-17 EP disclosed
US-4749804-A Preparation of stereoisomers of ketals SYNTEX (U.S.A.) INC. (US) 1988-06-07 US disclosed
US-4605758-A Preparation of α-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1986-08-12 US disclosed
US-4496755-A Optically active 1-(6-methoxy-2-naphthyl)-2-(alkoxycarbonyl) amino-1-propanone, its derivatives and their halo analogs and the methods for their manufacture SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-01-29 US disclosed
EP-0091757-A1 Optically active 1-(6-methoxy-2-naphthyl)-2-alkoxycarbonyl)amino-1-propanone, its derivatives and their halo anlogs, and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-10-19 EP disclosed
EP-0081993-A2 Optically active alpha-substituted aryl ketones, their preparation and their use in preparing alpha-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-22 EP disclosed
US-3975432-A Process for preparing 2-(6-methoxy-2-naphthyl)propionic acid SYNTEX CORPORATION (PM) 1976-08-17 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 (3 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-20240262845-A1 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE KYNU, TPH1, AADAT CYP1A2 1509/4885CYP2A6 506/4885HSD17B1 4534/4885
US-20240262844-A1 PYRIDINIUM SALTS AND METHODS OF USE KYNU, TPH1, AADAT CYP1A2 1399/4885CYP2A6 605/4885HSD17B1 4601/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG CYP1A2 394/4885CYP2A6 355/4885HSD17B1 174/4885

“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.